In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2010 | 15 | 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) | 2.65 | 5.35 | -9.85 | 1 | 3 | 0 | 38 | 199.257 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 5.54 | -27.09 | 2 | 3 | 1 | 39 | 200.265 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 5.49 | -24.25 | 2 | 3 | 1 | 39 | 200.265 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.