UCSF

ZINC39490396

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 26 No

Popular Name: (3S)-5-[[benzyl(methyl)amino]methyl]-N-methyl-N-[[(2S)-4-methyl-2H-imidazol-2-yl]methyl]-2,3-dihydro (3S)-5-[[benzyl(methyl)amino]met…

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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) 1.52 4.85 -54.78 2 7 1 71 356.45 7 ↓
Hi High (pH 8-9.5) 1.52 2.51 -15.29 1 7 0 70 355.442 7 ↓
Lo Low (pH 4.5-6) 1.52 5.8 -112.48 3 7 2 72 357.458 7 ↓

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

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