UCSF

ZINC04640321

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 16 Yes

Popular Name: 5-(2,4-dichlorophenyl)cyclohexane-1,3-dione 5-(2,4-dichlorophenyl)cyclohexan…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 55579-70-9 , [55579-70-9]

Other Names:

MFCD00104795

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) 2.95 7.22 -40.55 0 2 -1 40 256.108 1 ↓
Mid Mid (pH 6-8) 2.95 7.37 -40.73 0 2 -1 40 256.108 1 ↓
Mid Mid (pH 6-8) 2.20 7.42 -12.41 0 2 0 34 257.116 1 ↓
Mid Mid (pH 6-8) 2.95 5.5 -10.1 1 2 0 37 257.116 1 ↓
Mid Mid (pH 6-8) 2.95 5.51 -10.1 1 2 0 37 257.116 1 ↓

Activity (Go SEA)

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