UCSF

ZINC39706270

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 15 Yes

Popular Name: 2-[(2-methyl-1-piperidinyl)methyl]azepane 2-[(2-methyl-1-piperidinyl)methy…

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CAS Number: 881041-23-2

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) 2.77 7.76 -110.34 3 2 2 21 212.381 2 ↓
Hi High (pH 8-9.5) 2.77 6.57 -29.48 2 2 1 16 211.373 2 ↓
Hi High (pH 8-9.5) 2.77 6.14 -32.27 2 2 1 20 211.373 2 ↓

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