In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2009 | 17 | 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) | 0.73 | 5.01 | -47.63 | 0 | 5 | -1 | 64 | 241.311 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.73 | 7.22 | -72.41 | 1 | 5 | 0 | 65 | 242.319 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.73 | 5.25 | -44.93 | 2 | 5 | 1 | 62 | 243.327 | 6 | ↓ |