In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 5th, 2008 | 17 | 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) | 2.12 | 5.02 | -36.68 | 3 | 4 | 1 | 47 | 235.355 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.12 | 2.65 | -6.56 | 2 | 4 | 0 | 45 | 234.347 | 4 | ↓ |