UCSF

ZINC67739958

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,8-diazaspiro[4.5]decane 3-[[2-(pyrazol-1-ylmethyl)phenyl…

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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) 1.78 9.71 -98.27 3 4 2 39 312.461 4 ↓
Hi High (pH 8-9.5) 1.78 7.59 -42.14 2 4 1 38 311.453 4 ↓

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

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