UCSF

ZINC17044320

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 29 No

Popular Name: (4E,5S)-4-[hydroxy-(4-methoxy-2-methyl-phenyl)methylene]-5-(4-hydroxyphenyl)-1-(2-methoxyethyl)pyrro (4E,5S)-4-[hydroxy-(4-methoxy-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) 2.32 5.32 -68 1 7 -1 99 396.419 7 ↓
Mid Mid (pH 6-8) 2.32 4.78 -14.27 2 7 0 96 397.427 7 ↓
Mid Mid (pH 6-8) 1.73 5.1 -14.28 1 7 0 93 397.427 7 ↓

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