UCSF

ZINC67725562

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 17 Yes

Popular Name: (4S)-4-(2-methoxypyrimidin-5-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (4S)-4-(2-methoxypyrimidin-5-yl)…

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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) 0.05 -0.34 -39.55 3 6 1 77 232.267 2 ↓
Hi High (pH 8-9.5) 0.05 -0.81 -11.11 2 6 0 76 231.259 2 ↓
Mid Mid (pH 6-8) 0.05 0.5 -52.83 3 6 1 80 232.267 2 ↓

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

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