UCSF

ZINC52510889

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 18 Yes

Popular Name: 2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]ethanamine 2-[4-(aminomethyl)triazol-1-yl]-…

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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) 0.06 2.62 -97.3 4 6 2 72 255.366 7 ↓
Hi High (pH 8-9.5) 0.06 2.22 -41.52 3 6 1 70 254.358 7 ↓

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

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