In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 18 | Yes |
Popular Name: [(1R,2S)-2-(2-methoxyphenyl)cyclopropyl]-(2-thienyl)methanone [(1R,2S)-2-(2-methoxyphenyl)cycl…
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) | 3.57 | 8.56 | -8.37 | 0 | 2 | 0 | 26 | 258.342 | 4 | ↓ |
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) | 3.69 | 1.34 | -7.78 | 0 | 2 | 0 | 26 | 246.331 | 5 | ↓ |
Popular Name: dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate dimethyl 2-[1-(2-methoxyphenyl)-…
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) | 3.33 | 4.13 | -13.92 | 0 | 6 | 0 | 78 | 376.43 | 10 | ↓ |
Popular Name: dimethyl 2-[1-(2-methoxyphenyl)-3-oxo-3-(2-thienyl)propyl]malonate dimethyl 2-[1-(2-methoxyphenyl)-…
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) | 3.33 | 3.94 | -13.1 | 0 | 6 | 0 | 78 | 376.43 | 10 | ↓ |