UCSF

ZINC08440812

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Popular Name: 5-(4-butoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-pyrrol-2-one 5-(4-butoxyphenyl)-4-(4-fluorobe…

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Other Names:

MFCD03213675

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) 4.41 11.11 -56.4 0 6 -1 79 452.502 9 ↓
Mid Mid (pH 6-8) 4.86 -0.68 -31.75 1 6 0 76 453.51 8 ↓
Mid Mid (pH 6-8) 3.83 -0.39 -25.56 0 6 0 72 453.51 9 ↓

Activity (Go SEA)

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