UCSF

ZINC69073047

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 No

Popular Name: 2-[[(3S,7aR)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carbonyl]amino]oxyacetic 2-[[(3S,7aR)-7a-methyl-5-oxo-2,3…

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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) -0.83 4.67 -62.57 1 7 -1 99 273.29 4 ↓
Hi High (pH 8-9.5) -0.64 3.12 -130.71 0 7 -2 105 272.282 4 ↓
Hi High (pH 8-9.5) -0.64 2.19 -117.78 0 7 -2 105 272.282 4 ↓

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

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