UCSF

ZINC22043138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 31 Yes

Popular Name: 1-Piperazineethanol, 4-(p-chlorobenzyl)-alpha-(1,3-dimethyl-7-xanthinylmethyl)-; 7-(3-(4-((4-Chlorophenyl)methyl)-1-piperazinyl)-2-hydroxypropyl)-3,7-di hydro-1,3-dimethyl-1H-purine-2,6-dione; BRN 0595054; LS-112140; SP-1131; Theophylline, 7-(3-(4-(p-chlo 1-Piperazineethanol, 4-(p-chloro…

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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) 1.42 8.19 -50.29 2 9 1 90 447.947 6 ↓
Mid Mid (pH 6-8) 1.42 5.93 -14.95 1 9 0 89 446.939 6 ↓
Mid Mid (pH 6-8) 1.42 8.25 -52.57 2 9 1 90 447.947 6 ↓

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