In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 26 | 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) | -0.25 | -3.73 | -20.04 | 3 | 12 | 0 | 181 | 373.297 | 8 | ↓ |
Hi High (pH 8-9.5) | 0.21 | -6.46 | -57.65 | 2 | 12 | -1 | 184 | 372.289 | 8 | ↓ |