In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 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) | 3.56 | -3.12 | -9.82 | 1 | 4 | 0 | 55 | 291.372 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.56 | -2.54 | -44.59 | 0 | 4 | -1 | 57 | 290.364 | 5 | ↓ |