UCSF

ZINC19938515

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 33 No

Popular Name: 5-[3-(allyloxy)phenyl]-1-[2-(diethylamino)ethyl]-3-hydroxy-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 5-[3-(allyloxy)phenyl]-1-[2-(die…

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Other Names:

MFCD03499192

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) 4.29 12.86 -69.98 1 6 0 74 448.563 11 ↓
Hi High (pH 8-9.5) 4.29 10.65 -58.91 0 6 -1 73 447.555 11 ↓
Lo Low (pH 4.5-6) 4.29 12.04 -49.72 2 6 1 71 449.571 11 ↓

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