UCSF

ZINC69761723

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 No

Popular Name: [1-[2-[(3S)-3-methylthiomorpholin-4-yl]ethyl]triazol-4-yl]methanamine [1-[2-[(3S)-3-methylthiomorpholi…

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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) 0.02 3.24 -103.47 4 5 2 63 243.38 4 ↓
Hi High (pH 8-9.5) 0.02 0.81 -8.87 2 5 0 60 241.364 4 ↓
Mid Mid (pH 6-8) 0.02 1.21 -50.23 3 5 1 62 242.372 4 ↓

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

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