UCSF

ZINC49545438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 Yes

Popular Name: 3-[[1-(dimethylamino)cyclohexyl]methylamino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 3-[[1-(dimethylamino)cyclohexyl]…

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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) -1.32 1.63 -81.26 3 6 2 63 336.48 3 ↓
Hi High (pH 8-9.5) 2.27 3.24 -34.62 2 6 1 61 335.472 4 ↓
Mid Mid (pH 6-8) -1.32 2.4 -44.21 2 6 1 66 335.472 3 ↓
Lo Low (pH 4.5-6) -1.32 4 -168.67 4 6 3 65 337.488 3 ↓

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Rings

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

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