In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 13 | 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) | 1.79 | 6.56 | -39.01 | 1 | 2 | 1 | 22 | 182.287 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 4.48 | -3.36 | 0 | 2 | 0 | 20 | 181.279 | 1 | ↓ |