UCSF

ZINC16266322

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 36 No

Popular Name: (5S)-4-(3-fluoro-4-methoxy-benzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-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) 2.61 7.38 -54.76 0 10 -1 128 498.487 9 ↓
Mid Mid (pH 6-8) 3.05 8.6 -69.41 2 10 1 126 500.503 8 ↓
Mid Mid (pH 6-8) 2.02 9.61 -70.27 1 10 1 123 500.503 9 ↓
Mid Mid (pH 6-8) 2.61 9.71 -75.2 1 10 0 129 499.495 9 ↓

Activity (Go SEA)

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