In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 16th, 2009 | 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) | 3.75 | 9.07 | -25.73 | 1 | 8 | 0 | 94 | 430.53 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.93 | 8.01 | -51.95 | 0 | 8 | -1 | 100 | 429.522 | 9 | ↓ |