UCSF

ZINC36118742

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 34 Yes

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]cyclo N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) -0.57 4.47 -41.1 3 8 1 103 470.59 8 ↓
Hi High (pH 8-9.5) 3.01 6.46 -20.9 2 8 0 100 469.582 9 ↓
Mid Mid (pH 6-8) -0.57 4.67 -33.66 2 8 0 106 469.582 8 ↓
Mid Mid (pH 6-8) -0.57 5.35 -102.17 4 8 2 105 471.598 8 ↓
Mid Mid (pH 6-8) -0.57 5.26 -27.58 2 8 0 106 469.582 8 ↓

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

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