UCSF

ZINC20392270

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 36 No

Popular Name: 4-[4-(allyloxy)benzoyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one 4-[4-(allyloxy)benzoyl]-3-hydrox…

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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) 2.29 4.47 -62.23 1 9 -1 112 493.536 10 ↓
Mid Mid (pH 6-8) 2.29 6.83 -74.05 2 9 0 113 494.544 10 ↓
Lo Low (pH 4.5-6) 2.29 6.01 -58.5 3 9 1 110 495.552 10 ↓

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