UCSF

ZINC13451192

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 35 No

Popular Name: 3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(2-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methoxy-3-methylb…

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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) 2.97 6.55 -63.36 0 8 -1 91 479.553 9 ↓
Mid Mid (pH 6-8) 3.41 8.01 -58.49 2 8 1 90 481.569 8 ↓
Mid Mid (pH 6-8) 2.38 8.75 -57.04 1 8 1 87 481.569 9 ↓
Mid Mid (pH 6-8) 2.97 8.89 -79.45 1 8 0 93 480.561 9 ↓

Activity (Go SEA)

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