UCSF

ZINC52380600

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 17 Yes

Popular Name: [1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(2S,6S)-2,6-dimethylmorph…

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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) -0.12 0.13 -49.86 3 6 1 71 240.331 4 ↓
Hi High (pH 8-9.5) -0.12 -0.27 -8.95 2 6 0 69 239.323 4 ↓
Mid Mid (pH 6-8) -0.12 2.06 -103.21 4 6 2 72 241.339 4 ↓

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Rings

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

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