In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 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) | 3.90 | 7.11 | -45.06 | 4 | 3 | 1 | 57 | 277.432 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.90 | 6.81 | -5.8 | 3 | 3 | 0 | 55 | 276.424 | 6 | ↓ |