UCSF

ZINC22665314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 36 Yes

Popular Name: 2-[[4-(2-tert-butyl-5-methyl-pyrazole-3-carbonyl)piperazin-1-yl]methyl]-5-[(4-methylsulfanylphenyl)m 2-[[4-(2-tert-butyl-5-methyl-pyr…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.90 10.92 -20.38 0 8 0 81 510.66 8 ↓
Mid Mid (pH 6-8) 2.90 13.25 -71.12 1 8 1 82 511.668 8 ↓

Activity (Go SEA)

Rings

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

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