In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 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) | 3.98 | 5.51 | -9.56 | 2 | 3 | 0 | 50 | 290.318 | 1 | ↓ |
Hi High (pH 8-9.5) | 3.98 | 6.26 | -52.36 | 1 | 3 | -1 | 53 | 289.31 | 1 | ↓ |