UCSF

ZINC49545922

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 No

Popular Name: 3-(4-methylpiperazin-1-yl)-4-[(2,2,6,6-tetramethyl-4-piperidyl)amino]cyclobut-3-ene-1,2-dione 3-(4-methylpiperazin-1-yl)-4-[(2…

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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) 0.15 1.31 -51.86 2 6 0 70 335.472 2 ↓
Mid Mid (pH 6-8) 0.15 3.62 -126.54 3 6 0 71 336.48 2 ↓
Mid Mid (pH 6-8) 0.15 1.27 -57.36 2 6 0 70 335.472 2 ↓
Mid Mid (pH 6-8) 0.15 3.67 -115.42 3 6 0 71 336.48 2 ↓

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

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