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) | -0.07 | 0.47 | -35.38 | 3 | 2 | 1 | 31 | 117.216 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.07 | 2.45 | -109.61 | 4 | 2 | 2 | 32 | 118.224 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.07 | 2.12 | -29.68 | 3 | 2 | 1 | 30 | 117.216 | 3 | ↓ |