UCSF

ZINC31560475

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 38 Yes

Popular Name: 7-(3-(N-Methyl-N-nicotinyloxyethylamino)-2-nicotinyloxypropyl)theophylline; 7-(3-(N-Methylnicotinyloxyethylamino)-2-hydroxypropyl)theophylline nicotinate; 7-Theophyllineethanol, alpha-(N-methylnicotinoyloxyethylaminomethyl)-, nicotinate (ester); BRN 12010 7-(3-(N-Methyl-N-nicotinyloxyeth…

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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) 0.52 12.79 -59.51 1 13 1 145 522.542 12 ↓
Hi High (pH 8-9.5) 0.52 10.45 -20.58 0 13 0 143 521.534 12 ↓

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