UCSF

ZINC33827782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 27 Yes

Popular Name: 7-(3-(N-Methylisonicotinamidomethyl)-2-hydroxypropyl)theophylline; 7-Theophyllineethanol, alpha-(N-methylisonicotinamidomethyl)-; BRN 1184158; LS-149541; Purineethanol, 1,3-dimethyl-2,6-dioxo-alpha-(N-methylisonicotinamidomethyl)- 7-(3-(N-Methylisonicotinamidomet…

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Vendors

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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) -1.28 6.72 -23.05 1 10 0 115 372.385 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.