UCSF

ZINC68960155

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 23 No

Popular Name: 2-[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]-N-(3-methoxypropyl)acetam 2-[(3-cyclopropyl-4-ethyl-5-thio…

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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) 0.22 8.81 -43.42 2 7 1 66 342.489 10 ↓
Mid Mid (pH 6-8) 0.22 6.38 -18.34 1 7 0 64 341.481 10 ↓

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

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