UCSF

ZINC36156016

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 31 Yes

Popular Name: 2-[[[(2R)-3-ethoxy-2-hydroxy-propyl]-(2-morpholinoethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-benzothi 2-[[[(2R)-3-ethoxy-2-hydroxy-pro…

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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) 1.42 4.65 -56.57 3 8 1 92 451.613 10 ↓
Hi High (pH 8-9.5) 1.42 2.47 -14.77 2 8 0 91 450.605 10 ↓
Hi High (pH 8-9.5) 1.88 2.11 -44.96 2 8 0 95 450.605 10 ↓
Lo Low (pH 4.5-6) 1.42 4.74 -53.86 3 8 1 92 451.613 10 ↓

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Rings

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