UCSF

ZINC26381088

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 23 Yes

Popular Name: 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-methyl-,monohydriodide; 9H-Thioxanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]-7-hydroxy-4-methyl-, monohydriodide 9H-Thioxanthen-9-one, 1-[[2-(dim…

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CAS Number: 80568-29-2

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) 4.14 6.5 -98.54 4 4 2 59 330.453 3 ↓
Hi High (pH 8-9.5) 3.95 4.3 -9.73 2 4 0 53 328.437 4 ↓
Hi High (pH 8-9.5) 4.14 3.98 -35.41 3 4 1 58 329.445 3 ↓

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