UCSF

ZINC32234462

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 16 Yes

Popular Name: 5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione 5-(2,6-Dichlorophenyl)cyclohexan…

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CAS Number: [55579-74-3]

Other Names:

MFCD00104793

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) 2.92 6.92 -44.49 0 2 -1 40 256.108 1 ↓
Mid Mid (pH 6-8) 2.93 7.04 -44.39 0 2 -1 40 256.108 1 ↓
Mid Mid (pH 6-8) 2.18 7.13 -8.26 0 2 0 34 257.116 1 ↓
Mid Mid (pH 6-8) 2.92 5.2 -8.91 1 2 0 37 257.116 1 ↓
Mid Mid (pH 6-8) 2.92 5.19 -8.93 1 2 0 37 257.116 1 ↓

Activity (Go SEA)

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