In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 27 | 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) | 4.50 | 12.02 | -46.87 | 2 | 4 | 1 | 47 | 367.513 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.50 | 9.78 | -12.11 | 1 | 4 | 0 | 45 | 366.505 | 6 | ↓ |