UCSF

ZINC63952344

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 23 No

Popular Name: 2-[(3S)-2-(4-fluorophenyl)-3,5-dimethyl-1,3-dihydropyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide 2-[(3S)-2-(4-fluorophenyl)-3,5-d…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

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) 2.13 7.25 -42.26 2 7 -1 92 315.332 4 ↓
Mid Mid (pH 6-8) 1.94 8.56 -18.66 3 7 0 86 316.34 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.