UCSF

ZINC32497009

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 18 Yes

Popular Name: [(2-piperidin-1-yl-2-adamantyl)methyl]amine [(2-piperidin-1-yl-2-adamantyl)m…

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CAS Numbers: , 924849-12-7

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) 2.90 7.53 -111.69 4 2 2 32 250.43 2 ↓
Hi High (pH 8-9.5) 2.90 5.68 -44.97 3 2 1 31 249.422 2 ↓

Activity (Go SEA)

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