UCSF

ZINC67934343

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 27 Yes

Popular Name: 7-methyl-3-[[4-(o-tolyl)phenyl]methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 7-methyl-3-[[4-(o-tolyl)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) 3.40 8.47 -36.66 2 4 1 37 364.513 3 ↓
Hi High (pH 8-9.5) 3.40 6.23 -7.74 1 4 0 36 363.505 3 ↓

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

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