In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2008 | 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) | 1.76 | 7.56 | -11.92 | 1 | 4 | 0 | 53 | 292.338 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.66 | 5.34 | -49.24 | 0 | 4 | -1 | 56 | 291.33 | 3 | ↓ |