UCSF

ZINC13733615

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Substance Information

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

Popular Name: (5S)-4-(5-fluoro-2-methoxy-benzoyl)-5-(2-fluorophenyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-o (5S)-4-(5-fluoro-2-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) 2.52 6.53 -59.93 0 7 -1 82 457.453 7 ↓
Mid Mid (pH 6-8) 2.96 7.81 -50.47 2 7 1 81 459.469 6 ↓
Mid Mid (pH 6-8) 1.93 8.83 -51.86 1 7 1 77 459.469 7 ↓
Mid Mid (pH 6-8) 2.52 8.93 -67.09 1 7 0 83 458.461 7 ↓

Activity (Go SEA)

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