UCSF

ZINC67742547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 23 Yes

Popular Name: 3-[(2-phenylpyrimidin-5-yl)methyl]-3,8-diazaspiro[4.5]decane 3-[(2-phenylpyrimidin-5-yl)methy…

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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) 1.79 9.22 -106.16 3 4 2 47 310.445 3 ↓
Mid Mid (pH 6-8) 1.79 6.73 -44.82 2 4 1 46 309.437 3 ↓

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

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