In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2010 | 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) | 6.59 | 11.76 | -7.29 | 1 | 3 | 0 | 28 | 461.403 | 4 | ↓ |
Lo Low (pH 4.5-6) | 6.59 | 13.84 | -44.18 | 2 | 3 | 1 | 29 | 462.411 | 4 | ↓ |