In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 24 | No |
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) | 1.13 | 3.97 | -35.98 | 6 | 8 | 1 | 127 | 336.416 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.13 | 3.94 | -16.06 | 5 | 8 | 0 | 126 | 335.408 | 6 | ↓ |