In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 12th, 2008 | 22 | 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) | 4.42 | 10.04 | -12.86 | 0 | 2 | 0 | 26 | 284.362 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.42 | 10.79 | -83.65 | 2 | 2 | 2 | 28 | 286.378 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.42 | 10.44 | -27.84 | 1 | 2 | 1 | 27 | 285.37 | 1 | ↓ |
Lo Low (pH 4.5-6) | 4.42 | 10.43 | -24.55 | 1 | 2 | 1 | 27 | 285.37 | 1 | ↓ |