In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 30th, 2008 | 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) | 2.35 | 8.86 | -42.83 | 1 | 7 | 1 | 55 | 398.531 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.35 | 6.39 | -10.82 | 0 | 7 | 0 | 54 | 397.523 | 6 | ↓ |