| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 15 | Yes |
Popular Name: 4-isopropyl-5-[(3S)-pyrrolidin-3-yl]sulfanyl-1,2,4-triazol-3-amine 4-isopropyl-5-[(3S)-pyrrolidin-3…
| 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 | 5.83 | -47.54 | 4 | 5 | 1 | 73 | 228.345 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.82 | 4.38 | -10.02 | 3 | 5 | 0 | 69 | 227.337 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
