UCSF

ZINC13683252

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 No

Popular Name: (5S)-4-(3-fluoro-4-methoxy-benzoyl)-5-(3-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5S)-4-(3-fluoro-4-methoxy-benzo…

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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) 2.54 6.26 -54.23 0 7 -1 82 457.453 7 ↓
Mid Mid (pH 6-8) 2.99 7.6 -64.82 2 7 1 81 459.469 6 ↓
Mid Mid (pH 6-8) 1.96 8.6 -70.43 1 7 1 77 459.469 7 ↓
Mid Mid (pH 6-8) 2.54 8.66 -73.11 1 7 0 83 458.461 7 ↓

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

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