In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2009 | 15 | 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) | 2.79 | 4.12 | -37.95 | 4 | 3 | 1 | 61 | 227.715 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.13 | 4.3 | -8.41 | 4 | 3 | 0 | 61 | 226.707 | 4 | ↓ |