In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 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) | 4.41 | 6.25 | -4.9 | 2 | 2 | 0 | 32 | 261.752 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.41 | 7.02 | -39.65 | 1 | 2 | -1 | 35 | 260.744 | 3 | ↓ |