In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 18 | 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) | 3.44 | 7.09 | -44.35 | 3 | 2 | 1 | 37 | 262.76 | 4 | ↓ |
Hi High (pH 8-9.5) | 3.44 | 6.6 | -3.84 | 2 | 2 | 0 | 35 | 261.752 | 4 | ↓ |