UCSF

ZINC67540809

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 24 Yes

Popular Name: 3-[(2-allyloxy-5-chloro-phenyl)methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[(2-allyloxy-5-chloro-phenyl)m…

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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) 2.26 5.19 -32.6 3 5 1 55 350.87 5 ↓
Hi High (pH 8-9.5) 2.26 2.93 -7.98 2 5 0 54 349.862 5 ↓

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

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