In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 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) | 4.59 | 13.69 | -46.48 | 2 | 5 | 1 | 51 | 419.593 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 11.41 | -8.18 | 1 | 5 | 0 | 50 | 418.585 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 11.84 | -30.44 | 2 | 5 | 1 | 52 | 419.593 | 6 | ↓ |