In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 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) | 0.45 | 6.52 | -104.66 | 4 | 5 | 2 | 65 | 290.411 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.45 | 6.05 | -64.16 | 3 | 5 | 1 | 64 | 289.403 | 3 | ↓ |