| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 11 | Yes |
Popular Name: 3-Chloro-5-(tetrahydrofuran-2-yl)-1H-1,2,4-triazole 3-Chloro-5-(tetrahydrofuran-2-yl…
Find On: PubMed — Wikipedia — Google
CAS Number: 1245569-57-6
| 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) | 0.84 | 2.26 | -4.86 | 1 | 4 | 0 | 51 | 173.603 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 2.01 | -38.97 | 0 | 4 | -1 | 49 | 172.595 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.84 | 2.16 | -6 | 1 | 4 | 0 | 51 | 173.603 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
