UCSF

ZINC67472795

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 20 Yes

Popular Name: (1S,6R)-9-methyl-4-(2-methyl-5-propyl-pyrimidin-4-yl)-4,9-diazabicyclo[4.2.1]nonane (1S,6R)-9-methyl-4-(2-methyl-5-p…

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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) 2.15 10.1 -29.3 1 4 1 33 275.42 3 ↓
Hi High (pH 8-9.5) 2.15 7.68 -5.32 0 4 0 32 274.412 3 ↓
Mid Mid (pH 6-8) 2.15 10.55 -77.76 2 4 2 35 276.428 3 ↓

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

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