UCSF

ZINC33824929

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 Yes

Popular Name: 4-Amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)benzamide hydrate (2:1); Benzamide, 4-amino-N-(2-(4-(6-methyl-2-pyridinyl)-1-piperazinyl)ethyl)-, hydrate (2:1); LS-25581 4-Amino-N-(2-(4-(6-methyl-2-pyri…

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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) 0.98 4.88 -33.75 4 6 1 76 340.451 5 ↓
Mid Mid (pH 6-8) 0.98 4.56 -12.83 3 6 0 74 339.443 5 ↓
Lo Low (pH 4.5-6) 0.98 7.08 -100.36 5 6 2 77 341.459 5 ↓

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