UCSF

ZINC52382525

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 Yes

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

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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) 0.27 1.82 -44.1 2 6 1 60 254.358 6 ↓
Hi High (pH 8-9.5) 0.27 0.44 -8.61 1 6 0 55 253.35 6 ↓
Mid Mid (pH 6-8) 0.27 4.1 -98.3 3 6 2 61 255.366 6 ↓

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

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