In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 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) | 1.83 | 5.82 | -12.97 | 3 | 7 | 0 | 99 | 396.491 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.83 | 6.15 | -30.52 | 4 | 7 | 1 | 100 | 397.499 | 6 | ↓ |