UCSF

ZINC39490501

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2010 28 Yes

Popular Name: N-methyl-N-[[(2S)-4-methyl-2H-imidazol-2-yl]methyl]-2-(2,6,6-trimethyl-4-oxo-1-propyl-5,7-dihydroind N-methyl-N-[[(2S)-4-methyl-2H-im…

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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) 2.65 8.35 -15.11 0 6 0 67 384.524 6 ↓
Lo Low (pH 4.5-6) 2.65 9.35 -29.61 1 6 1 69 385.532 6 ↓

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

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