UCSF

ZINC49573658

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 34 No

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

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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) 1.52 3.55 -19.61 2 9 0 118 477.395 6 ↓
Hi High (pH 8-9.5) 1.52 3.99 -36.05 1 9 0 120 476.387 6 ↓
Hi High (pH 8-9.5) 1.52 4.16 -33.47 1 9 0 120 476.387 6 ↓
Mid Mid (pH 6-8) 1.52 3.44 -21.19 2 9 0 118 477.395 6 ↓

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

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