In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2010 | 27 | No |
None
None
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) | 3.52 | 7.94 | -36.61 | 2 | 6 | 1 | 57 | 379.569 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.52 | 5.67 | -5.92 | 1 | 6 | 0 | 56 | 378.561 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.