UCSF

ZINC13684478

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 27 No

Popular Name: N-[(5E)-4-oxo-5-(6-quinolylmethylene)-2-thioxo-thiazolidin-3-yl]pyridine-3-carboxamide N-[(5E)-4-oxo-5-(6-quinolylmethy…

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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) 1.43 8.17 -19.34 1 6 0 77 392.465 3 ↓
Lo Low (pH 4.5-6) 1.43 8.45 -48.06 2 6 1 78 393.473 3 ↓

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

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