In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2009 | 13 | 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) | -1.34 | -0.46 | -33.52 | 4 | 5 | 1 | 74 | 183.235 | 5 | ↓ |
Hi High (pH 8-9.5) | -1.34 | -0.93 | -13.15 | 3 | 5 | 0 | 73 | 182.227 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 0.89 | -110.97 | 5 | 5 | 2 | 79 | 184.243 | 5 | ↓ |
Mid Mid (pH 6-8) | -1.34 | 0.44 | -47.75 | 4 | 5 | 1 | 78 | 183.235 | 5 | ↓ |