In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 16th, 2012 | 21 | 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) | 2.35 | 7.79 | -13.94 | 0 | 4 | 0 | 42 | 284.359 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.35 | 8.25 | -40.51 | 1 | 4 | 1 | 44 | 285.367 | 6 | ↓ |