UCSF

ZINC36160934

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 22 Yes

Popular Name: 2-[[(2-hydroxy-2-methyl-propyl)-methyl-amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyri 2-[[(2-hydroxy-2-methyl-propyl)-…

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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) 2.01 6.46 -47.98 3 5 1 70 322.454 4 ↓
Hi High (pH 8-9.5) 2.01 4.63 -11.55 2 5 0 69 321.446 4 ↓
Hi High (pH 8-9.5) 2.46 3.84 -45.67 2 5 0 74 321.446 4 ↓

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