In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 12 | 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) | 0.68 | 2.97 | -42.5 | 3 | 3 | 1 | 48 | 173.28 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.68 | 2.62 | -8.66 | 2 | 3 | 0 | 46 | 172.272 | 5 | ↓ |