In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 21 | 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) | 3.81 | 6.65 | -38.31 | 2 | 3 | 1 | 29 | 295.491 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.81 | 8.46 | -117.76 | 3 | 3 | 2 | 30 | 296.499 | 5 | ↓ |