UCSF

ZINC65508132

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 24 Yes

Popular Name: 2-(4-fluorophenyl)-N-[[1-(1H-imidazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide 2-(4-fluorophenyl)-N-[[1-(1H-imi…

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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) 1.63 7.01 -44.95 3 5 1 62 329.399 6 ↓
Mid Mid (pH 6-8) 1.63 6.51 -13.76 2 5 0 61 328.391 6 ↓
Lo Low (pH 4.5-6) 1.63 9.01 -120.3 4 5 2 63 330.407 6 ↓

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

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