In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 20 | 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) | 1.73 | 4.16 | -56.23 | 4 | 5 | 1 | 73 | 271.344 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.73 | 3.78 | -13.84 | 3 | 5 | 0 | 71 | 270.336 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.73 | 4.61 | -100.71 | 5 | 5 | 2 | 74 | 272.352 | 5 | ↓ |