UCSF

ZINC41636200

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 Yes

Popular Name: 5-[(S)-(4-ethylphenyl)-morpholino-methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 5-[(S)-(4-ethylphenyl)-morpholin…

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Download: MOL2 SDF SMILES Flexibase

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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) 2.99 5.33 -6.83 1 6 0 63 344.44 4 ↓
Mid Mid (pH 6-8) 2.99 6.04 -48.11 0 6 -1 66 343.432 4 ↓
Lo Low (pH 4.5-6) 2.99 7.39 -37.41 2 6 1 64 345.448 4 ↓

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

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