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) | 2.51 | 8.89 | -20.15 | 1 | 11 | 0 | 137 | 450.502 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 7.68 | -39.67 | 0 | 11 | -1 | 143 | 449.494 | 10 | ↓ |