UCSF

ZINC52545381

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 21 Yes

Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methoxyethyl)ethanamine N-[(1S)-1-cyclopropylethyl]-2-[4…

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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) 1.24 5.8 -89.79 3 6 2 61 297.447 11 ↓
Hi High (pH 8-9.5) 1.24 3.95 -41.75 2 6 1 60 296.439 11 ↓

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

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