In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2010 | 34 | 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) | 4.49 | 9.65 | -29.16 | 2 | 8 | 0 | 96 | 473.558 | 7 | ↓ |
Hi High (pH 8-9.5) | 4.56 | 7.99 | -70.75 | 1 | 8 | -1 | 103 | 472.55 | 7 | ↓ |