UCSF

ZINC49538469

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 31 No

Popular Name: 3-[[3,4-dioxo-2-[[(1S)-2,2,2-trifluoro-1-phenyl-ethyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dim 3-[[3,4-dioxo-2-[[(1S)-2,2,2-tri…

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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) 1.63 4.89 -16.98 2 7 0 99 433.386 6 ↓
Hi High (pH 8-9.5) 1.63 5.32 -33.3 1 7 0 102 432.378 6 ↓
Hi High (pH 8-9.5) 1.63 5.49 -31.12 1 7 0 102 432.378 6 ↓
Mid Mid (pH 6-8) 1.63 4.79 -18.15 2 7 0 99 433.386 6 ↓

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

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