UCSF

ZINC65533814

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: 3-methylcyclohexanone {2-nitrophenyl}hydrazone 3-methylcyclohexanone {2-nitroph…

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Other Names:

MFCD00584286

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) -0.09 9.49 -116.97 2 7 1 84 333.412 5 ↓
Hi High (pH 8-9.5) -0.09 6.24 -67.54 0 7 -1 82 331.396 5 ↓
Hi High (pH 8-9.5) -0.09 7.48 -72.19 1 7 0 83 332.404 5 ↓
Mid Mid (pH 6-8) -0.09 9.1 -57.89 1 7 0 83 332.404 5 ↓

Activity (Go SEA)

Rings

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

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