UCSF

ZINC19923267

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 No

Popular Name: methyl 4-(3-benzoyl-4-hydroxy-1-{2-[(2-hydroxyethyl)amino]ethyl}-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate methyl 4-(3-benzoyl-4-hydroxy-1-…

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Other Names:

MFCD06590960

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) 1.35 5.97 -77.28 3 8 0 124 424.453 10 ↓
Hi High (pH 8-9.5) 1.35 4.48 -59.92 2 8 -1 119 423.445 10 ↓

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