UCSF

ZINC31983602

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 39 Yes

Popular Name: CR 609; Hydrocinnamamide, alpha-(benzoylamino)-N,N-dipropyl-4-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propoxy)-, oxalate, (+-)-; LS-77071; O-(3-(N''-Hydroxyethylpiperazine)-N'-propyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalate CR 609; Hydrocinnamamide, alpha-…

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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) 3.65 10.34 -50.91 3 8 1 87 539.741 16 ↓
Mid Mid (pH 6-8) 3.65 10.43 -45.65 3 8 1 87 539.741 16 ↓
Mid Mid (pH 6-8) 3.65 8.09 -17.28 2 8 0 85 538.733 16 ↓

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