UCSF

ZINC19938418

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 34 No

Popular Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-5-(2,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 4-(2,3-dihydro-1,4-benzodioxin-6…

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Other Names:

MFCD03690803

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) 1.96 7.84 -74.18 1 9 0 102 468.506 8 ↓
Hi High (pH 8-9.5) 1.96 5.29 -62.42 0 9 -1 101 467.498 8 ↓
Lo Low (pH 4.5-6) 1.96 7.02 -52.47 2 9 1 99 469.514 8 ↓

Activity (Go SEA)

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