In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2008 | 24 | 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) | 0.56 | 6.74 | -20.67 | 1 | 8 | 0 | 112 | 327.296 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 5.14 | -57.06 | 0 | 8 | -1 | 119 | 326.288 | 3 | ↓ |