UCSF

ZINC66157597

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 42 No

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) 6.68 21.96 -187.63 6 7 3 80 580.93 15 ↓
Hi High (pH 8-9.5) 6.68 20.87 -80.42 5 7 2 79 579.922 15 ↓

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

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