| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 11 | Yes |
Popular Name: 5-pyrrolidin-2-yl-2,4-dihydro-3H-1,2,4-triazol-3-one 5-pyrrolidin-2-yl-2,4-dihydro-3H…
Find On: PubMed — Wikipedia — Google
CAS Number: 933714-04-6
| 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) | -0.71 | -0.3 | -49.51 | 4 | 5 | 1 | 78 | 155.181 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.71 | -1.66 | -7.2 | 3 | 5 | 0 | 74 | 154.173 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.74 | -2.36 | -45.35 | 2 | 5 | 1 | 72 | 153.165 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
