In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 18th, 2008 | 30 | 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) | 0.32 | -3.74 | -16.93 | 6 | 9 | 0 | 165 | 420.414 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.32 | -0.48 | -53.9 | 5 | 9 | -1 | 168 | 419.406 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.32 | -2.64 | -59.87 | 5 | 9 | -1 | 168 | 419.406 | 5 | ↓ |