UCSF

ZINC69571131

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 21 Yes

Popular Name: (2S)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pro (2S)-2-(1-methyl-6,7-dihydro-4H-…

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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) -0.72 4.31 -33.18 2 6 1 61 293.391 4 ↓
Hi High (pH 8-9.5) -0.72 3.85 -16.67 1 6 0 59 292.383 4 ↓
Lo Low (pH 4.5-6) -0.72 5.92 -35.37 2 6 1 61 293.391 4 ↓

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

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