UCSF

ZINC23041946

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 29 No

Popular Name: (3S)-N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-1-oxo-isochroman-3-carboxami (3S)-N-[4-[(4-allyl-5-thioxo-1H-…

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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) 2.07 11.47 -29.48 2 8 0 102 427.511 6 ↓
Hi High (pH 8-9.5) 2.98 10.24 -101.17 0 8 -2 105 425.495 6 ↓
Mid Mid (pH 6-8) 2.79 11.32 -61.02 1 8 -1 99 426.503 6 ↓

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

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