UCSF

ZINC00122913

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 3-(1H-benzimidazol-2-yl)aniline 3-(1H-benzimidazol-2-yl)aniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7596-74-9 , [7596-74-9]

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) 2.60 4.94 -9.32 3 3 0 55 209.252 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 252-253° Matrix Scientific
MP 259 - 263 Enamine Building Blocks
MP 260 - 262 Enamine Building Blocks
MP 260...262 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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