UCSF

ZINC52452063

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 Yes

Popular Name: N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-ethyl-cyclopropanamine N-[2-[4-[(tert-butylamino)methyl…

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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) 1.61 6.89 -88.05 3 5 2 52 267.421 8 ↓
Hi High (pH 8-9.5) 1.61 5.67 -41.46 2 5 1 47 266.413 8 ↓

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

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