In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 14th, 2006 | 31 | No |
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) | 4.32 | -0.88 | -10.69 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.32 | -0.62 | -13.53 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.50 | -1.72 | -11.1 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
Popular Name: 2-ethylsulfanylethyl 2-ethylsulfanylethyl
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) | 4.32 | -0.7 | -9.73 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.32 | -0.72 | -13.66 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.51 | -1.64 | -11.27 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
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) | 4.32 | -0.7 | -10.16 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.50 | -1.74 | -10.87 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.32 | -0.7 | -13.22 | 1 | 6 | 0 | 85 | 445.581 | 8 | ↓ |