In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 17 | 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) | 1.97 | 6.85 | -37.7 | 2 | 4 | 1 | 57 | 232.307 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.97 | 4.76 | -7.87 | 1 | 4 | 0 | 56 | 231.299 | 5 | ↓ |