UCSF

ZINC66738769

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2011 28 Yes

Popular Name: 1'-[(2-chloro-6-fluoro-phenyl)methyl]spiro[3H-[1,3,5]triazino[1,2-a]benzimidazole-4,4'-piperidine]-2 1'-[(2-chloro-6-fluoro-phenyl)me…

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Vendors

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) 3.48 10.32 -16.61 3 6 0 71 398.873 2 ↓
Mid Mid (pH 6-8) 3.48 10.82 -35.41 4 6 1 73 399.881 2 ↓
Mid Mid (pH 6-8) 3.48 12.56 -56.54 4 6 1 73 399.881 2 ↓
Mid Mid (pH 6-8) 3.48 13.05 -102.64 5 6 2 74 400.889 2 ↓

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

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