In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 30th, 2006 | 11 | 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) | 1.01 | 3.25 | -14.33 | 1 | 3 | 0 | 38 | 152.197 | 0 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 2.05 | -46.41 | 0 | 3 | -1 | 41 | 151.189 | 0 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 1.26 | -6.78 | 1 | 3 | 0 | 38 | 152.197 | 0 | ↓ |