UCSF

ZINC36130698

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: N-(2,5-diethoxyphenyl)-3-[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]propanamide N-(2,5-diethoxyphenyl)-3-[(3,4-d…

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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) -1.58 4.35 -37.45 3 8 1 100 402.471 9 ↓
Hi High (pH 8-9.5) -0.95 2.41 -24.38 2 8 0 106 401.463 8 ↓
Mid Mid (pH 6-8) -0.95 2.68 -104.09 4 8 2 105 403.479 8 ↓

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

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