UCSF

ZINC35632562

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 36 Yes

Popular Name: 3-(cyclopropylamino)-4-[4-[8-(2,4-dimethoxyphenyl)-2-quinolyl]piperazin-1-yl]cyclobut-3-ene-1,2-dion 3-(cyclopropylamino)-4-[4-[8-(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) 0.87 7.1 -36.25 2 8 1 90 485.564 5 ↓
Mid Mid (pH 6-8) 0.87 7.88 -20.55 1 8 0 93 484.556 5 ↓
Lo Low (pH 4.5-6) 0.87 7.37 -79.54 3 8 2 92 486.572 5 ↓

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

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