In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2011 | 11 | 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) | 0.30 | 1.29 | -9.13 | 1 | 4 | 0 | 49 | 156.185 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.48 | -1.31 | -42.88 | 0 | 4 | -1 | 56 | 155.177 | 2 | ↓ |