In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 25th, 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) | 4.36 | 14.89 | -12.35 | 1 | 7 | 0 | 78 | 404.47 | 7 | ↓ |
Lo Low (pH 4.5-6) | 4.54 | 15.34 | -54.24 | 2 | 7 | 1 | 83 | 405.478 | 7 | ↓ |