In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 20th, 2009 | 25 | 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) | -2.63 | -2.28 | -62.29 | 4 | 12 | -1 | 178 | 374.27 | 4 | ↓ |
Mid Mid (pH 6-8) | -2.00 | -2.87 | -61.17 | 4 | 12 | -1 | 175 | 374.27 | 5 | ↓ |
Lo Low (pH 4.5-6) | -2.00 | -2.37 | -38.28 | 5 | 12 | 0 | 176 | 375.278 | 5 | ↓ |