UCSF

ZINC67963357

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: 4-[(2-aminospiro[3H-[1,3,5]triazino[1,2-a]benzimidazole-4,4'-piperidine]-1'-yl)methyl]benzonitrile 4-[(2-aminospiro[3H-[1,3,5]triaz…

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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) 2.49 9.83 -20.21 3 7 0 95 371.448 2 ↓
Mid Mid (pH 6-8) 2.49 10.35 -41.46 4 7 1 97 372.456 2 ↓
Mid Mid (pH 6-8) 2.49 12.58 -122.28 5 7 2 98 373.464 2 ↓
Mid Mid (pH 6-8) 2.49 12.04 -75.95 4 7 1 96 372.456 2 ↓

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

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