UCSF

ZINC49563430

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 31 No

Popular Name: 3-[[2-[[(1S)-1-(5-chloro-2-furyl)-2,2,2-trifluoro-ethyl]amino]-3,4-dioxo-cyclobuten-1-yl]amino]-2-hy 3-[[2-[[(1S)-1-(5-chloro-2-furyl…

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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) 1.68 3.51 -19.43 2 8 0 112 457.792 6 ↓
Hi High (pH 8-9.5) 1.68 4.33 -38.4 1 8 0 115 456.784 6 ↓
Hi High (pH 8-9.5) 1.68 4.39 -35.02 1 8 0 115 456.784 6 ↓
Mid Mid (pH 6-8) 1.68 3.41 -20.98 2 8 0 112 457.792 6 ↓

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Rings

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

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