In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 27th, 2010 | 34 | 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) | 1.64 | 5.42 | -26.29 | 4 | 9 | 0 | 134 | 455.474 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 6.2 | -64.39 | 3 | 9 | -1 | 137 | 454.466 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.64 | 5.89 | -60.66 | 5 | 9 | 1 | 136 | 456.482 | 7 | ↓ |