In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2008 | 30 | 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) | 3.21 | 3.51 | -9.79 | 2 | 6 | 0 | 65 | 414.546 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.21 | 5.85 | -46.69 | 3 | 6 | 1 | 67 | 415.554 | 10 | ↓ |