UCSF

ZINC67560580

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 27 Yes

Popular Name: 3-[5-phenyl-3-[2-(1H-triazol-5-ylsulfanyl)ethyl]imidazol-4-yl]benzonitrile 3-[5-phenyl-3-[2-(1H-triazol-5-y…

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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) 3.27 11.13 -16.24 1 6 0 83 372.457 6 ↓
Hi High (pH 8-9.5) 3.27 11.12 -47.16 0 6 -1 82 371.449 6 ↓
Mid Mid (pH 6-8) 3.27 11.72 -47.59 2 6 1 84 373.465 6 ↓

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

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