UCSF

ZINC67955422

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 29 Yes

Popular Name: 5-methyl-9-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]-2,5,9-triazaspiro[5.5]undecan-1-one 5-methyl-9-[(2-phenylimidazo[1,2…

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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) 2.47 5.84 -14.88 1 6 0 53 389.503 3 ↓
Mid Mid (pH 6-8) 2.47 8.02 -50.23 2 6 1 54 390.511 3 ↓
Mid Mid (pH 6-8) 2.47 6.19 -27.73 2 6 1 54 390.511 3 ↓
Mid Mid (pH 6-8) 2.47 8.07 -42.18 2 6 1 54 390.511 3 ↓
Lo Low (pH 4.5-6) 2.47 8.41 -90.4 3 6 2 55 391.519 3 ↓
Lo Low (pH 4.5-6) 2.47 8.36 -78.75 3 6 2 55 391.519 3 ↓

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

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