UCSF

ZINC69458567

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 24 Yes

Popular Name: 1-(3-fluoro-4-imidazol-1-yl-phenyl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl] 1-(3-fluoro-4-imidazol-1-yl-phen…

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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) 1.42 8.64 -71.7 3 6 1 64 327.387 5 ↓
Hi High (pH 8-9.5) 1.42 7.27 -14.33 2 6 0 60 326.379 5 ↓
Mid Mid (pH 6-8) 1.42 8.8 -118.14 4 6 2 66 328.395 5 ↓
Lo Low (pH 4.5-6) 1.42 9.19 -161.73 5 6 3 67 329.403 5 ↓

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

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