| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 17 | Yes |
Popular Name: 3-isobutyl-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isobutyl-5-[(2S,4R)-4-methoxyp…
| 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) | 0.82 | 4.3 | -42.21 | 2 | 5 | 1 | 57 | 239.343 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.82 | 2.85 | -8.21 | 1 | 5 | 0 | 52 | 238.335 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
