In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2007 | 28 | 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) | 1.07 | 7.46 | -14.93 | 1 | 8 | 0 | 89 | 403.508 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.14 | 6.22 | -43.44 | 2 | 8 | 1 | 94 | 404.516 | 7 | ↓ |