UCSF

ZINC33754674

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 20 No

Popular Name: 1-Pentylamine, 4-bromo-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-, oxalate; 4-Bromo-N-ethyl-N-(2-(2,6-xylyloxy)ethyl)-1-pentylamine oxalate; LS-102259 1-Pentylamine, 4-bromo-N-ethyl-N…

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Annotations

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) 4.84 11.84 -36.64 1 2 1 14 343.329 9 ↓
Hi High (pH 8-9.5) 4.84 9.79 -3.9 0 2 0 12 342.321 9 ↓

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