In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 8 | 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) | 0.03 | -0.09 | -40.39 | 3 | 2 | 1 | 31 | 117.216 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 2.23 | -108.68 | 4 | 2 | 2 | 32 | 118.224 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 1.84 | -30.82 | 3 | 2 | 1 | 30 | 117.216 | 4 | ↓ |