In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 29 | 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) | 2.79 | 9.37 | -12.8 | 0 | 7 | 0 | 89 | 404.451 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.79 | 10.14 | -33.79 | 1 | 7 | 1 | 90 | 405.459 | 3 | ↓ |