UCSF

ZINC49548766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 23 Yes

Popular Name: 3-[[1-(dimethylamino)cyclopentyl]methylamino]-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione 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) -1.83 1.01 -80.9 3 6 2 63 322.453 3 ↓
Hi High (pH 8-9.5) 1.76 2.73 -34.34 2 6 1 61 321.445 4 ↓
Mid Mid (pH 6-8) -1.83 1.79 -44.16 2 6 1 66 321.445 3 ↓
Lo Low (pH 4.5-6) -1.83 3.36 -167.79 4 6 3 65 323.461 3 ↓

Activity (Go SEA)

Rings

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

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