In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2010 | 9 | 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) | 0.44 | 3.1 | -109.37 | 4 | 2 | 2 | 33 | 132.251 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 1.75 | -35.2 | 3 | 2 | 1 | 29 | 131.243 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.44 | 1.76 | -34.48 | 3 | 2 | 1 | 29 | 131.243 | 6 | ↓ |