UCSF

ZINC52382557

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 16 Yes

Popular Name: [1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(2R)-2-methylmorpholin-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) -0.48 -0.91 -49.87 3 6 1 71 226.304 4 ↓
Hi High (pH 8-9.5) -0.48 -1.31 -9.13 2 6 0 69 225.296 4 ↓
Mid Mid (pH 6-8) -0.48 1.36 -103.44 4 6 2 72 227.312 4 ↓

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

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