In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2010 | 19 | Yes |
None
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) | 3.49 | 4.35 | -10.56 | 2 | 4 | 0 | 66 | 272.691 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.94 | 3.3 | -101.05 | 0 | 4 | -2 | 72 | 270.675 | 1 | ↓ |