In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 5th, 2008 | 30 | No |
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) | 2.84 | 8.44 | -23.04 | 2 | 9 | 0 | 141 | 404.382 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 9.22 | -38.1 | 1 | 9 | -1 | 144 | 403.374 | 5 | ↓ |