In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2010 | 28 | No |
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) | -2.25 | 3.6 | -374.56 | 3 | 14 | -4 | 221 | 495.261 | 8 | ↓ |
Mid Mid (pH 6-8) | -2.25 | 2.44 | -237.47 | 4 | 14 | -3 | 219 | 496.269 | 8 | ↓ |
Lo Low (pH 4.5-6) | -2.25 | 1.51 | -143.17 | 4 | 14 | -2 | 219 | 497.277 | 8 | ↓ |