UCSF

ZINC67956009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 Yes

Popular Name: (5R)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-3,7-diazaspiro[4.5]decane (5R)-3-[[4-(pyrazol-1-ylmethyl)p…

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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) 1.82 9.73 -105.46 3 4 2 39 312.461 4 ↓
Mid Mid (pH 6-8) 1.82 7.22 -45.49 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.