UCSF

ZINC39917193

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 36 Yes

Popular Name: N-(2-ethyl-6-methyl-phenyl)-N-[(1S)-2-methoxy-1-methyl-ethyl]-2-[2-[(1S)-1-(4-methylpiperazin-1-yl)e N-(2-ethyl-6-methyl-phenyl)-N-[(…

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Vendors

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) 4.49 13.07 -51.54 1 7 1 55 492.688 9 ↓
Mid Mid (pH 6-8) 4.49 13.99 -92.76 2 7 2 56 493.696 9 ↓
Mid Mid (pH 6-8) 4.49 13.36 -37.42 1 7 1 55 492.688 9 ↓
Mid Mid (pH 6-8) 4.49 11.11 -11.67 0 7 0 54 491.68 9 ↓

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