In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 15 | 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) | -2.28 | 1.16 | -35.3 | 3 | 5 | 0 | 80 | 214.265 | 3 | ↓ |
Mid Mid (pH 6-8) | -2.28 | 0.75 | -44.33 | 2 | 5 | -1 | 79 | 213.257 | 3 | ↓ |
Mid Mid (pH 6-8) | -2.28 | 2.5 | -38.09 | 3 | 5 | 0 | 80 | 214.265 | 3 | ↓ |
Lo Low (pH 4.5-6) | -2.28 | 2.88 | -83.97 | 4 | 5 | 1 | 81 | 215.273 | 3 | ↓ |