In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 32 | 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) | 3.22 | 7.6 | -24.92 | 2 | 8 | 0 | 106 | 457.531 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.22 | 7.67 | -47.73 | 1 | 8 | -1 | 108 | 456.523 | 5 | ↓ |