In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2008 | 24 | 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) | 2.79 | 10.66 | -10.41 | 3 | 6 | 0 | 78 | 321.384 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 11.1 | -35.35 | 4 | 6 | 1 | 79 | 322.392 | 3 | ↓ |