In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2009 | 28 | 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) | 4.03 | 4.31 | -24.11 | 4 | 6 | 0 | 99 | 376.412 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.03 | 5.1 | -52.89 | 3 | 6 | -1 | 101 | 375.404 | 4 | ↓ |