| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2010 | 16 | Yes |
Popular Name: 3-isopropyl-5-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1-methyl-1,2,4-triazole 3-isopropyl-5-[(2S,4R)-4-methoxy…
| 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) | 0.56 | 3.46 | -42.21 | 2 | 5 | 1 | 57 | 225.316 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.56 | 2.02 | -8.83 | 1 | 5 | 0 | 52 | 224.308 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
