In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 31 | 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) | 4.46 | 11.32 | -49.6 | 3 | 5 | 1 | 62 | 419.593 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.46 | 10.21 | -8.13 | 2 | 5 | 0 | 57 | 418.585 | 4 | ↓ |