UCSF

ZINC19938541

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 No

Popular Name: 1-[2-(diethylamino)ethyl]-4-(4-ethoxybenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one 1-[2-(diethylamino)ethyl]-4-(4-e…

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Other Names:

MFCD03501614

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) 3.76 11.17 -66.98 1 6 0 74 440.515 10 ↓
Hi High (pH 8-9.5) 3.76 8.96 -55.88 0 6 -1 73 439.507 10 ↓
Lo Low (pH 4.5-6) 3.76 10.35 -49.74 2 6 1 71 441.523 10 ↓

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