UCSF

ZINC31561104

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 30 Yes

Popular Name: 4-(Acetylamino)-5-chloro-2-methoxy-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)benzamide; BRN 0859564; Benzamide, 4-(acetylamino)-5-chloro-2-methoxy-N-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-; LS-25195 4-(Acetylamino)-5-chloro-2-metho…

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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) 2.21 6.5 -40.44 3 8 1 88 432.932 7 ↓
Mid Mid (pH 6-8) 2.21 6.18 -17.1 2 8 0 87 431.924 7 ↓
Lo Low (pH 4.5-6) 2.21 8.72 -107.32 4 8 2 89 433.94 7 ↓
Lo Low (pH 4.5-6) 2.21 8.38 -54.34 3 8 1 88 432.932 7 ↓

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