UCSF

ZINC49550399

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-(1,3,5-trimethylpyrazol-4-yl)ethylamino]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) -1.02 1.2 -11.3 0 7 0 71 331.42 4 ↓
Mid Mid (pH 6-8) -1.02 3.51 -52.04 1 7 0 72 332.428 4 ↓
Mid Mid (pH 6-8) -1.02 1.15 -10.81 0 7 0 71 331.42 4 ↓
Mid Mid (pH 6-8) -1.02 3.56 -52.72 1 7 0 72 332.428 4 ↓

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Rings

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

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