UCSF

ZINC52475933

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 Yes

Popular Name: N-[[1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]propan-2-amine N-[[1-[2-[(3S)-3-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) 0.53 2.2 -41.83 2 6 1 60 268.385 6 ↓
Mid Mid (pH 6-8) 0.53 4.39 -95.38 3 6 2 61 269.393 6 ↓

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

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