In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2010 | 32 | 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) | 2.65 | 10.49 | -25.11 | 2 | 11 | 0 | 148 | 475.556 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.83 | 9.27 | -46.93 | 1 | 11 | -1 | 154 | 474.548 | 10 | ↓ |