UCSF

ZINC36156008

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 33 Yes

Popular Name: 2-[[[(2R)-3-tert-butoxy-2-hydroxy-propyl]-(2-morpholinoethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-ben 2-[[[(2R)-3-tert-butoxy-2-hydrox…

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Download: MOL2 SDF SMILES Flexibase

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) 2.23 5.78 -56.39 3 8 1 92 479.667 10 ↓
Hi High (pH 8-9.5) 2.23 3.6 -14.43 2 8 0 91 478.659 10 ↓
Hi High (pH 8-9.5) 2.69 3.26 -44.52 2 8 0 95 478.659 10 ↓
Lo Low (pH 4.5-6) 2.23 5.87 -53.57 3 8 1 92 479.667 10 ↓

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