UCSF

ZINC05409055

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 30 No

Popular Name: 5-(2,5-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxypropyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-(2,5-dimethoxyphenyl)-3-hydrox…

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Other Names:

MFCD03274578

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) 2.60 5.4 -67.54 1 7 -1 99 410.446 7 ↓
Mid Mid (pH 6-8) 3.04 -1.9 -17.65 2 7 0 96 411.454 6 ↓
Mid Mid (pH 6-8) 2.02 -1.72 -23.21 1 7 0 93 411.454 7 ↓
Lo Low (pH 4.5-6) 2.60 4.58 -16.77 2 7 0 96 411.454 7 ↓

Activity (Go SEA)

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