In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2009 | 31 | 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) | 4.43 | 9.98 | -52.96 | 2 | 5 | 1 | 52 | 426.508 | 11 | ↓ |
Hi High (pH 8-9.5) | 4.43 | 7.89 | -12.1 | 1 | 5 | 0 | 51 | 425.5 | 11 | ↓ |