UCSF

ZINC08433336

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 43 No

Popular Name: 3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-5-(3-phenoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-isobutoxy-2-methy…

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Other Names:

MFCD03297961

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Annotations

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Vendors

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) 5.81 0.81 -51.95 2 8 1 89 585.721 12 ↓
Mid Mid (pH 6-8) 6.26 0.37 -61.9 2 8 1 89 585.721 11 ↓
Mid Mid (pH 6-8) 5.23 0.77 -60.06 1 8 1 86 585.721 12 ↓

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