UCSF

ZINC60023773

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 Yes

Popular Name: (1S)-N1-[4-(benzyloxymethyl)-6-methyl-2-pyridyl]-N1',N1'-diisopropyl-ethane-1,1-diamine (1S)-N1-[4-(benzyloxymethyl)-6-m…

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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) 4.74 11.42 -26.97 2 4 1 42 356.534 8 ↓
Hi High (pH 8-9.5) 4.56 8.74 -5.96 1 4 0 37 355.526 9 ↓
Mid Mid (pH 6-8) 4.56 11.82 -87.66 3 4 2 40 357.542 9 ↓

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

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