UCSF

ZINC67742430

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

Popular Name: (3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-[2-(ethylamino)pyrimidin-5-yl]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) 0.42 6.18 -51.47 2 7 1 66 347.487 3 ↓
Lo Low (pH 4.5-6) 0.42 8.44 -112.48 3 7 2 67 348.495 3 ↓

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Rings

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

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