In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 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) | 1.44 | 5.8 | -130.76 | 4 | 4 | 2 | 51 | 278.396 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 5.36 | -31.68 | 3 | 4 | 1 | 49 | 277.388 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.44 | 3.37 | -47.39 | 3 | 4 | 1 | 49 | 277.388 | 5 | ↓ |