UCSF

ZINC36206533

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Substance Information

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

Popular Name: 2-[[(2-hydroxy-2-methyl-propyl)-(2-morpholinoethyl)amino]methyl]-5-(2-methoxyphenyl)-3H-thieno[2,3-d 2-[[(2-hydroxy-2-methyl-propyl)-…

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Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 2.44 4.43 -15.34 2 8 0 91 472.611 9 ↓
Mid Mid (pH 6-8) 2.44 5.16 -53.09 3 8 1 92 473.619 9 ↓
Mid Mid (pH 6-8) 2.44 5.31 -55.19 3 8 1 92 473.619 9 ↓
Lo Low (pH 4.5-6) 2.44 8.37 -135.22 4 8 2 93 474.627 9 ↓

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