UCSF

ZINC23041938

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 32 No

Popular Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-9-oxo-fluorene-2-carboxamide N-[4-[(4-allyl-5-thioxo-1H-1,2,4…

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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) 3.60 13.02 -27.23 2 7 0 93 459.556 6 ↓
Hi High (pH 8-9.5) 4.40 11.96 -104.04 0 7 -2 96 457.54 6 ↓
Mid Mid (pH 6-8) 4.33 12.86 -58.66 1 7 -1 90 458.548 6 ↓

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

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