UCSF

ZINC52382521

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Substance Information

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

Popular Name: N-methyl-1-[1-[2-[(2S)-2-methylmorpholin-4-yl]ethyl]triazol-4-yl]methanamine N-methyl-1-[1-[2-[(2S)-2-methylm…

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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) -0.11 0.96 -44.81 2 6 1 60 240.331 5 ↓
Hi High (pH 8-9.5) -0.11 -0.49 -10.53 1 6 0 55 239.323 5 ↓
Mid Mid (pH 6-8) -0.11 3.24 -98.45 3 6 2 61 241.339 5 ↓

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

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