UCSF

ZINC66129506

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 38 Yes

Popular Name: (5S)-5-benzyl-1-[[(2S)-1-[(2S)-2-[(4R)-3-butyl-2-imino-4-[(1R)-1-methylpropyl]imidazolidin-1-yl]pent (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) 5.80 19.71 -185.81 6 7 3 80 526.838 14 ↓
Hi High (pH 8-9.5) 5.80 17.45 -82.17 5 7 2 79 525.83 14 ↓

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

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