UCSF

ZINC04168917

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 Yes

Popular Name: N-(cyano-hydroxy-BLAHyl)benzamide N-(cyano-hydroxy-BLAHyl)benzamide

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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) 3.23 8.77 -48.46 1 6 -1 93 327.323 2 ↓
Mid Mid (pH 6-8) 3.23 -0.54 -32.34 3 6 1 91 329.339 2 ↓

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Rings

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

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