UCSF

ZINC08384131

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2006 35 No

Popular Name: 5-[3-ethoxy-4-(pentyloxy)phenyl]-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one 5-[3-ethoxy-4-(pentyloxy)phenyl]…

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Other Names:

MFCD04088677

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) 4.49 10.6 -59.43 0 7 -1 88 484.544 13 ↓
Mid Mid (pH 6-8) 3.91 0.83 -25.6 0 7 0 82 485.552 13 ↓
Mid Mid (pH 6-8) 4.94 0.58 -30.76 1 7 0 85 485.552 12 ↓

Activity (Go SEA)

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