In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 26 | 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) | 2.21 | 5.85 | -21.6 | 2 | 6 | 0 | 84 | 409.558 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.67 | 4.72 | -52.36 | 1 | 6 | -1 | 87 | 408.55 | 9 | ↓ |