UCSF

ZINC12357637

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 15 Yes

Popular Name: 2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid 2-[3-(trifluoromethyl)-1H-pyrazo…

Find On: PubMed — Wikipedia — Google

CAS Number: 1006473-54-6

Other Names:

MFCD04970063

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) 1.63 4.29 -36.24 0 4 -1 58 221.158 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

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