UCSF

ZINC20442950

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 36 No

Popular Name: (5S)-5-(4-tert-butylphenyl)-1-(2-diethylaminoethyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-5H-pyrrol-2-on (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) 5.66 14.04 -67.34 1 6 0 74 492.66 11 ↓
Hi High (pH 8-9.5) 5.66 11.84 -59.18 0 6 -1 73 491.652 11 ↓
Lo Low (pH 4.5-6) 5.66 13.22 -45.73 2 6 1 71 493.668 11 ↓

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