UCSF

ZINC69062225

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 23 No

Popular Name: 3-[1-[[methyl(propyl)amino]methyl]-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl 3-[1-[[methyl(propyl)amino]methy…

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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) 0.07 7.69 -43.82 3 7 1 80 342.489 9 ↓
Hi High (pH 8-9.5) 0.07 5.22 -17.14 2 7 0 78 341.481 9 ↓

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

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