UCSF

ZINC22746724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 No

Popular Name: N-[[2-(4-diethylaminophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-methoxy-benzamide N-[[2-(4-diethylaminophenyl)-6-m…

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) 4.31 12.11 -66.37 3 8 0 86 489.625 9 ↓
Mid Mid (pH 6-8) 4.31 12.03 -29.91 2 8 0 84 488.617 9 ↓

Activity (Go SEA)

Rings

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

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