UCSF

ZINC42336164

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 17 No

Popular Name: N-(1-oxothian-4-yl)-1-propyl-piperidin-4-amine N-(1-oxothian-4-yl)-1-propyl-pip…

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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) 0.78 4.32 -42.98 2 3 1 34 259.439 4 ↓
Lo Low (pH 4.5-6) 0.78 5.34 -122.77 3 3 2 38 260.447 4 ↓
Lo Low (pH 4.5-6) 0.78 3.11 -54.84 2 3 1 37 259.439 4 ↓

Activity (Go SEA)

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