UCSF

ZINC00388158

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 4-chlorobenzene-1,3-diamine 4-chlorobenzene-1,3-diamine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5131-60-2 , 84540-39-6 , [5131-60-2]

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) 1.10 0.83 -3.42 4 2 0 52 142.589 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 87 - 90 Enamine Building Blocks
Melting_Point 87-90? Alfa-Aesar
Melting_Point 87-90° Alfa-Aesar
MP 87...90 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90 TCI
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% APIChem

Activity (Go SEA)

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

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