In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2008 | 34 | 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) | 3.70 | 13.71 | -58.3 | 2 | 7 | 1 | 73 | 462.618 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.70 | 11.85 | -12.97 | 1 | 7 | 0 | 72 | 461.61 | 9 | ↓ |