UCSF

ZINC20057883

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 35 No

Popular Name: (5S)-5-(4-tert-butylphenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-methoxy-3-methyl-benzoyl)-5H-pyrr (5S)-5-(4-tert-butylphenyl)-1-(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) 5.30 13.41 -71.37 1 6 0 74 478.633 10 ↓
Hi High (pH 8-9.5) 5.30 11.1 -59.49 0 6 -1 73 477.625 10 ↓
Lo Low (pH 4.5-6) 5.30 12.6 -51.28 2 6 1 71 479.641 10 ↓

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