In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2010 | 19 | 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) | 1.60 | 3.84 | -48.15 | 0 | 5 | -1 | 85 | 272.309 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 3.71 | -15.26 | 1 | 5 | 0 | 83 | 273.317 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.60 | 4.3 | -50.97 | 1 | 5 | 0 | 86 | 273.317 | 4 | ↓ |