UCSF

ZINC13551086

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 34 No

Popular Name: 4-[(E)-[(2R)-1-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-hydroxy-me 4-[(E)-[(2R)-1-(2-dimethylaminoe…

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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) 1.78 7.13 -79.87 1 9 0 111 487.578 9 ↓
Hi High (pH 8-9.5) 1.78 4.6 -60.88 0 9 -1 110 486.57 9 ↓
Mid Mid (pH 6-8) 2.22 6.52 -54.34 2 9 1 109 488.586 8 ↓

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