UCSF

ZINC19938545

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 No

Popular Name: 4-[4-(allyloxy)benzoyl]-1-[3-(dimethylamino)propyl]-3-hydroxy-5-(4-pyridinyl)-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-1-[3-(di…

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Other Names:

MFCD03501945

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) 2.09 9.68 -77.46 1 7 0 87 421.497 10 ↓
Lo Low (pH 4.5-6) 2.09 8.86 -56.91 2 7 1 84 422.505 10 ↓

Activity (Go SEA)

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