| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 15 | Yes |
Popular Name: 3-isobutyl-1-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole 3-isobutyl-1-methyl-5-[(2R)-pyrr…
| 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) | 1.12 | 5.35 | -40 | 2 | 4 | 1 | 47 | 209.317 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.12 | 4.06 | -6.41 | 1 | 4 | 0 | 43 | 208.309 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
