In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 18 | 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) | 1.60 | 6.46 | -50.94 | 2 | 4 | 1 | 56 | 247.318 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.60 | 5.09 | -8.74 | 1 | 4 | 0 | 51 | 246.31 | 5 | ↓ |