In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 24 | 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) | 3.17 | 7.71 | -48.81 | 3 | 5 | 1 | 70 | 352.524 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.62 | 5.38 | -39.85 | 2 | 5 | 0 | 74 | 351.516 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.17 | 5.84 | -10.44 | 2 | 5 | 0 | 69 | 351.516 | 8 | ↓ |