In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2010 | 30 | 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) | -1.76 | -10.46 | -48.98 | 5 | 13 | -1 | 176 | 424.438 | 7 | ↓ |
Mid Mid (pH 6-8) | -1.76 | -8.2 | -69.24 | 6 | 13 | 0 | 178 | 425.446 | 7 | ↓ |
Lo Low (pH 4.5-6) | -1.76 | -8.2 | -50.96 | 7 | 13 | 1 | 180 | 426.454 | 7 | ↓ |