In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 16 | Yes |
Popular Name: ethyl ethyl
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.38 | 8.53 | -4.99 | 0 | 2 | 0 | 26 | 254.738 | 3 | ↓ |
Popular Name: 5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid 5-chloro-3-methyl-1-benzothiophe…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.75 | -0.17 | -48.06 | 0 | 2 | -1 | 40 | 225.676 | 1 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.35 | 1.54 | -6.94 | 0 | 2 | 0 | 26 | 206.266 | 2 | ↓ |
Popular Name: 1-cyanoethyl 1-cyanoethyl
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.50 | 2.84 | -7.79 | 0 | 3 | 0 | 50 | 245.303 | 3 | ↓ |
Popular Name: Ethyl 5-amino-3-methylbenzo[b]thiophene-2-carboxylate Ethyl 5-amino-3-methylbenzo[b]th…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.78 | -0.54 | -7.02 | 2 | 3 | 0 | 52 | 235.308 | 3 | ↓ |
Popular Name: (4-carbamoylphenyl)methyl (4-carbamoylphenyl)methyl
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.77 | 7.86 | -13.27 | 2 | 4 | 0 | 69 | 325.389 | 5 | ↓ |
Popular Name: Ethyl 3-(trifluoromethyl)benzo[b]thiophene-2-carboxylate Ethyl 3-(trifluoromethyl)benzo[b…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.18 | 8.27 | -7.69 | 0 | 2 | 0 | 26 | 274.263 | 4 | ↓ |