UCSF

ZINC69993463

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 20 Yes

Popular Name: (1S,8aR)-N-[[1-[(1S)-1-methylpropyl]pyrazol-3-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (1S,8aR)-N-[[1-[(1S)-1-methylpro…

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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) 2.47 7.18 -33.73 2 4 1 34 277.436 5 ↓
Hi High (pH 8-9.5) 2.47 4.92 -5.61 1 4 0 33 276.428 5 ↓
Lo Low (pH 4.5-6) 2.47 8.33 -105.02 3 4 2 39 278.444 5 ↓

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

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