In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 12th, 2006 | 13 | 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) | 1.85 | 3.4 | -9.74 | 1 | 3 | 0 | 42 | 175.187 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.85 | 4.2 | -50.29 | 0 | 3 | -1 | 45 | 174.179 | 1 | ↓ |