UCSF

ZINC98216255

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2014 35 Yes

Popular Name: (2R)-2-(4-bromophenyl)-4-hydroxy-3-(3-methyl-4-propoxy-benzoyl)-1-(2-morpholinoethyl)-2H-pyrrol-5-on (2R)-2-(4-bromophenyl)-4-hydroxy…

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Download: MOL2 SDF SMILES Flexibase

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) 4.38 9.48 -54.88 0 7 -1 82 542.45 9 ↓
Mid Mid (pH 6-8) 4.38 11.74 -71.06 1 7 0 83 543.458 9 ↓
Lo Low (pH 4.5-6) 4.38 8.73 -13.3 1 7 0 79 543.458 9 ↓

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

No pre-computed analogs available. Try a structural similarity search.