UCSF

ZINC33309287

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 18 Yes

Popular Name: 4-Phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid 4-Phenyl-4,5,6,7-tetrahydro-3H-i…

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CAS Number: 178456-18-3

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) -0.44 5.28 -52.4 2 5 -1 81 242.258 2 ↓
Mid Mid (pH 6-8) -0.44 5.54 -44.32 3 5 0 85 243.266 2 ↓
Lo Low (pH 4.5-6) -0.44 6.93 -77.41 4 5 1 87 244.274 2 ↓
Lo Low (pH 4.5-6) -0.44 5.74 -60.85 3 5 0 82 243.266 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 209 - 211 Enamine Building Blocks
MP 209...211 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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