UCSF

ZINC00373759

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 1-(4-Chloro-benzyl)-5-methyl-1 H -pyrazol-3-ylamine 1-(4-Chloro-benzyl)-5-methyl-1 H…

Find On: PubMed — Wikipedia — Google

CAS Number: 400749-67-9

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) 2.49 -0.56 -7.72 2 3 0 44 221.691 2 ↓

Activity (Go SEA)

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

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