In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2009 | 34 | No |
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) | 5.36 | 13.16 | -44.8 | 0 | 5 | -1 | 70 | 458.509 | 9 | ↓ |
Lo Low (pH 4.5-6) | 5.36 | 12.03 | -20.38 | 1 | 5 | 0 | 67 | 459.517 | 9 | ↓ |