UCSF

ZINC65534939

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 Yes

Popular Name: 2-{2-nitrophenyl}-3-(phenylmethyl)-1,3-thiazolidin-4-one 2-{2-nitrophenyl}-3-(phenylmethy…

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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) 1.64 7.03 -42.33 2 4 1 46 247.366 3 ↓
Hi High (pH 8-9.5) 1.64 5.75 -4.16 1 4 0 41 246.358 3 ↓
Mid Mid (pH 6-8) 1.64 7.47 -84.38 3 4 2 47 248.374 3 ↓

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

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