In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 16 | 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) | 0.39 | 2.58 | -51.66 | 2 | 5 | -1 | 89 | 242.638 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 3.6 | -101.33 | 1 | 5 | -2 | 92 | 241.63 | 3 | ↓ |