In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2008 | 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) | 0.57 | 3.57 | -13.81 | 2 | 7 | 0 | 97 | 304.331 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.57 | 3.38 | -44.19 | 1 | 7 | -1 | 95 | 303.323 | 4 | ↓ |