In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 13th, 2010 | 22 | 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) | 2.40 | 7.47 | -48.78 | 1 | 6 | -1 | 95 | 295.274 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.86 | 5.66 | -99.45 | 0 | 6 | -2 | 98 | 294.266 | 4 | ↓ |