UCSF

ZINC66148839

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 40 Yes

Popular Name: (5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-3-(3-cyclopentylpropyl)-2-imino-4-[(1R)-1-methylpropyl]imidaz (5S)-5-benzyl-1-[[(2S)-1-[(2S)-2…

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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) 5.59 19.94 -183.48 6 7 3 80 552.876 13 ↓
Mid Mid (pH 6-8) 5.59 18.74 -81.09 5 7 2 79 551.868 13 ↓

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

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