In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 24th, 2010 | 20 | 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) | 2.13 | 8.56 | -79.51 | 3 | 4 | 2 | 47 | 272.396 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 8.43 | -45.39 | 2 | 4 | 1 | 46 | 271.388 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.13 | 8.57 | -79.91 | 3 | 4 | 2 | 47 | 272.396 | 4 | ↓ |