UCSF

ZINC19569408

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 31 No

Popular Name: 4-benzoyl-3-hydroxy-5-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-1,5-dihydro-2H-pyrrol-2-one 4-benzoyl-3-hydroxy-5-(2-methoxy…

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Other Names:

MFCD02229742

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) 2.26 6.53 -61.78 0 7 -1 82 421.473 7 ↓
Mid Mid (pH 6-8) 2.26 8.86 -74.05 1 7 0 83 422.481 7 ↓
Lo Low (pH 4.5-6) 2.26 8.04 -52.88 2 7 1 81 423.489 7 ↓

Activity (Go SEA)

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