In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2010 | 12 | 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) | 0.97 | 2.98 | -117.12 | 5 | 2 | 2 | 44 | 166.268 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 3.53 | -33.61 | 4 | 2 | 1 | 43 | 165.26 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.97 | 1.64 | -46.93 | 4 | 2 | 1 | 40 | 165.26 | 4 | ↓ |