UCSF

ZINC52046428

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 18 Yes

Popular Name: 1-methyl-3-phenyl-1-(p-tolyl)guanidine 1-methyl-3-phenyl-1-(p-tolyl)gua…

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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) 3.64 10.01 -26.15 3 3 1 41 240.33 4 ↓
Hi High (pH 8-9.5) 3.51 10.07 -5.03 2 3 0 42 239.322 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0805796A1 IBM Patent Data

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Rings

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

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