UCSF

ZINC13451525

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 32 No

Popular Name: (5S)-3-hydroxy-5-(4-hydroxyphenyl)-4-(4-isopropoxy-3-methyl-benzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2 (5S)-3-hydroxy-5-(4-hydroxypheny…

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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) 3.33 7.06 -58.81 1 7 -1 99 438.5 9 ↓
Mid Mid (pH 6-8) 3.77 5.57 -29.74 2 7 0 96 439.508 8 ↓
Mid Mid (pH 6-8) 2.74 6.6 -24.22 1 7 0 93 439.508 9 ↓

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