UCSF

ZINC67742747

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 27 Yes

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-[2-(1H-imidazol-2-yl)phenyl]methanone (3,7-dimethyl-3,7,11-triazaspiro…

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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) 1.61 8.09 -49.63 2 6 1 57 368.505 2 ↓
Mid Mid (pH 6-8) 1.61 7.89 -76.81 3 6 2 58 369.513 2 ↓
Lo Low (pH 4.5-6) 1.61 10.31 -168.77 4 6 3 59 370.521 2 ↓

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

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