UCSF

ZINC67514441

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 27 Yes

Popular Name: (3,7-dimethyl-3,7,10-triazaspiro[5.5]undecan-10-yl)-(2-phenylpyrimidin-5-yl)methanone (3,7-dimethyl-3,7,10-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) 1.29 7.7 -41.07 1 6 1 54 366.489 2 ↓
Lo Low (pH 4.5-6) 1.29 9.92 -110.45 2 6 2 55 367.497 2 ↓

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

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