UCSF

ZINC02538908

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

Popular Name: 2-(3,5-Dimethyl-pyrazol-1-ylmethyl)-quinoline-4-carboxylic acid 2-(3,5-Dimethyl-pyrazol-1-ylmeth…

Find On: PubMed — Wikipedia — Google

CAS Number: 957035-26-6

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) 2.69 7.98 -52.61 0 5 -1 71 280.307 3 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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