UCSF

ZINC60023712

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 29 Yes

Popular Name: 4-(benzyloxymethyl)-2-[[(1S)-1-(diisopropylamino)ethyl]amino]-6-methyl-pyridine-3-carboxylic 4-(benzyloxymethyl)-2-[[(1S)-1-(…

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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) 4.24 12.71 -61.34 2 6 0 82 399.535 9 ↓
Hi High (pH 8-9.5) 4.06 10.44 -32.24 2 6 0 79 399.535 10 ↓
Mid Mid (pH 6-8) 4.06 12.42 -65.37 3 6 1 80 400.543 10 ↓

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

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