In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2009 | 12 | 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) | 0.34 | 1.53 | -111.66 | 5 | 3 | 2 | 53 | 174.288 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.34 | 1.18 | -31.58 | 4 | 3 | 1 | 52 | 173.28 | 4 | ↓ |