UCSF

ZINC08440608

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

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

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Other Names:

MFCD03837937

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) 3.39 8.88 -42.16 0 7 -1 88 436.484 11 ↓
Mid Mid (pH 6-8) 3.84 0.06 -28.17 1 7 0 85 437.492 10 ↓
Mid Mid (pH 6-8) 2.81 0.35 -21.76 0 7 0 82 437.492 11 ↓

Activity (Go SEA)

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