UCSF

ZINC08440673

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 31 No

Popular Name: 4-[4-(allyloxy)benzoyl]-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-5-(4-flu…

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Other Names:

MFCD03837951

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) 3.50 9.64 -55.16 0 6 -1 79 424.448 10 ↓
Mid Mid (pH 6-8) 3.94 0.49 -30.3 1 6 0 76 425.456 9 ↓
Mid Mid (pH 6-8) 2.91 0.75 -25.79 0 6 0 72 425.456 10 ↓

Activity (Go SEA)

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