UCSF

ZINC40769029

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 21 Yes

Popular Name: (1R,5S)-7-isopropyl-N-(2-morpholinoethyl)-7-azabicyclo[3.3.1]nonan-9-amine (1R,5S)-7-isopropyl-N-(2-morphol…

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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) 2.17 5.95 -39.33 3 4 0 34 297.487 5 ↓
Hi High (pH 8-9.5) 2.17 5.01 -1.82 2 4 0 29 296.479 5 ↓
Lo Low (pH 4.5-6) 2.17 8.2 -15.6 4 4 0 35 298.495 5 ↓

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

No pre-computed analogs available. Try a structural similarity search.