UCSF

ZINC20111381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 Yes

Popular Name: (5Z)-3-butyl-2-[[3-butyl-4-methyl-5-[(Z)-pyrrol-2-ylidenemethyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-( (5Z)-3-butyl-2-[[3-butyl-4-methy…

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Download: MOL2 SDF SMILES Flexibase

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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) 8.26 16.44 -11.68 2 4 0 57 440.635 10 ↓
Hi High (pH 8-9.5) 8.26 16.77 -29.47 3 4 1 59 441.643 10 ↓
Hi High (pH 8-9.5) 5.26 16.72 -10.66 3 4 0 59 440.635 10 ↓

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

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