UCSF

ZINC31298300

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 26 Yes

Popular Name: 16140-27-5; 4-(hydroxymethyl)-1-((2-(1-piperidinyl)ethyl)amino)-9H-thioxanthen-9-one; nsc166366 16140-27-5; 4-(hydroxymethyl)-1-…

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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) 4.44 7.34 -46.05 4 4 0 59 370.518 4 ↓
Hi High (pH 8-9.5) 4.44 5.12 -9.12 3 4 0 58 369.51 4 ↓

Activity (Go SEA)

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