UCSF

ZINC18115066

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 30 No

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

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Other Names:

MFCD03044362

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) 2.20 5.91 -66.55 1 7 -1 99 410.446 7 ↓
Mid Mid (pH 6-8) 1.62 7.03 -27.29 1 7 0 93 411.454 7 ↓
Mid Mid (pH 6-8) 2.20 6.38 -17.43 2 7 0 96 411.454 7 ↓

Activity (Go SEA)

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