UCSF

ZINC57990503

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 30 No

Popular Name: 3-(3,4-dimethylphenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethylamino]cyclobut-3-ene-1,2-dione 3-(3,4-dimethylphenyl)-4-[2-[4-(…

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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) 3.08 8.98 -8.74 0 5 0 53 407.489 5 ↓
Mid Mid (pH 6-8) 3.08 11.15 -55.84 1 5 0 54 408.497 5 ↓
Mid Mid (pH 6-8) 3.08 8.95 -10 0 5 0 53 407.489 5 ↓
Mid Mid (pH 6-8) 3.08 11.17 -41.32 1 5 0 54 408.497 5 ↓

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

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