UCSF

ZINC04591645

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 24 No

Popular Name: 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE 4-METHYL-N-{(5E)-5-[(5-METHYL-2-…

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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) 3.78 5.79 -15.08 1 6 0 93 362.432 3 ↓
Ref Reference (pH 7) 3.78 5.7 -14.92 1 6 0 93 362.432 3 ↓
Hi High (pH 8-9.5) 4.24 3.79 -60.86 0 6 -1 96 361.424 3 ↓
Hi High (pH 8-9.5) 4.24 3.66 -55.7 0 6 -1 96 361.424 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.35e-02 g/l DrugBank-experimental

Activity (Go SEA)

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

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