UCSF

ZINC35623005

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 33 Yes

Popular Name: 1-(4-((6,7-dimethoxy(3,4-dihydroisoquinolyl))methyl)phenyl)-3-(3-fluoro-4-methylphenyl)urea 1-(4-((6,7-dimethoxy(3,4-dihydro…

Find On: PubMed — Wikipedia — Google

CAS Number: 1023435-48-4

Other Names:

MFCD03839375

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) 5.01 9.52 -14.78 2 6 0 72 447.51 6 ↓

Activity (Go SEA)

Rings

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

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