In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 30 | No |
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) | 1.81 | 8.81 | -26.35 | 2 | 11 | 0 | 148 | 447.502 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 7.59 | -47.89 | 1 | 11 | -1 | 154 | 446.494 | 8 | ↓ |