UCSF

ZINC66124438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 42 No

Popular Name: 4-[[5-[[(5R)-5-phenyl-4-(2-phenylbenzoyl)-1,4-diazepan-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile 4-[[5-[[(5R)-5-phenyl-4-(2-pheny…

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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) 5.44 18.55 -15.55 0 6 0 65 551.694 7 ↓
Mid Mid (pH 6-8) 5.44 20.81 -147.07 2 6 2 68 553.71 7 ↓
Mid Mid (pH 6-8) 5.44 19.07 -62.25 1 6 1 66 552.702 7 ↓
Mid Mid (pH 6-8) 5.44 20.3 -62.92 1 6 1 66 552.702 7 ↓

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Rings

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

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