UCSF

ZINC57990532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 31 No

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

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Download: MOL2 SDF SMILES Flexibase

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) 3.76 9.68 -8.63 0 5 0 53 421.516 6 ↓
Mid Mid (pH 6-8) 3.76 11.86 -55.55 1 5 0 54 422.524 6 ↓
Mid Mid (pH 6-8) 3.76 9.67 -9.91 0 5 0 53 421.516 6 ↓
Mid Mid (pH 6-8) 3.76 11.88 -40.51 1 5 0 54 422.524 6 ↓

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

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