UCSF

ZINC52572238

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 20 Yes

Popular Name: (2S)-N1-tert-butyl-N2-(2-methoxyethyl)-N2-[(1S)-2-methoxy-1-methyl-ethyl]-3-methyl-butane-1,2-diamin (2S)-N1-tert-butyl-N2-(2-methoxy…

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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) 2.72 4.51 -31.73 2 4 1 38 289.484 11 ↓
Hi High (pH 8-9.5) 2.72 4.55 -1.13 1 4 0 34 288.476 11 ↓
Lo Low (pH 4.5-6) 2.72 6.27 -99.86 3 4 2 40 290.492 11 ↓

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