In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2011 | 20 | Yes |
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) | 2.05 | 4.95 | -96.16 | 4 | 4 | 2 | 51 | 286.46 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 3.81 | -28.59 | 3 | 4 | 1 | 49 | 285.452 | 10 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 3.85 | -28.12 | 3 | 4 | 1 | 46 | 285.452 | 10 | ↓ |