UCSF

ZINC22756468

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 23 Yes

Popular Name: (1S)-1-(4-methoxyphenyl)-N,N-dimethyl-N'-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethane-1,2-diamine (1S)-1-(4-methoxyphenyl)-N,N-dim…

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) 1.99 4.02 -8.23 1 5 0 42 316.449 7 ↓
Lo Low (pH 4.5-6) 1.99 8.11 -126.24 3 5 2 48 318.465 7 ↓
Lo Low (pH 4.5-6) 1.99 6.05 -45.53 2 5 1 47 317.457 7 ↓

Activity (Go SEA)

Rings

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

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