In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 17th, 2006 | 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) | 1.57 | -2.91 | -46.29 | 2 | 5 | -1 | 81 | 293.387 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.12 | 3.03 | -57.81 | 1 | 9 | -1 | 117 | 421.433 | 4 | ↓ |