UCSF

ZINC20873256

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 Yes

Popular Name: 2-[4-bromo-2-[[2-[[(2S)-2-hydroxypropyl]amino]ethylamino]methyl]phenoxy]-N-tert-butyl-acetamide 2-[4-bromo-2-[[2-[[(2S)-2-hydrox…

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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) 1.75 3.09 -44.23 5 6 1 87 417.368 11 ↓
Mid Mid (pH 6-8) 1.75 4.36 -116.01 6 6 2 92 418.376 11 ↓
Lo Low (pH 4.5-6) 1.75 3.03 -48.38 5 6 1 87 417.368 11 ↓

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