UCSF

ZINC04124631

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 18 Yes

Popular Name: 4-(4-Chloro-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid 4-(4-Chloro-3,5-dimethyl-pyrazol…

Find On: PubMed — Wikipedia — Google

CAS Number: 376615-30-4

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) 2.94 1.12 -53.92 0 4 -1 57 263.704 3 ↓

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% )