UCSF

ZINC49547044

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 No

Popular Name: 3-[[1-(dimethylamino)cyclopentyl]methylamino]-4-[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dio 3-[[1-(dimethylamino)cyclopentyl…

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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) 0.02 4.97 -114.49 3 6 0 67 324.469 8 ↓
Hi High (pH 8-9.5) 0.02 2.5 -57.85 2 6 0 66 323.461 8 ↓
Hi High (pH 8-9.5) 0.02 2.54 -48.41 2 6 0 66 323.461 8 ↓
Mid Mid (pH 6-8) 0.02 4.95 -149.72 3 6 0 67 324.469 8 ↓

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Rings

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

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