UCSF

ZINC36118787

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 Yes

Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-[2-(p-tolyl)ethyl]cyclohexanecarbox 4-[[(3,4-dioxo-2-pyrrolidin-1-yl…

Find On: PubMed — Wikipedia — Google

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) 0.23 5.95 -36.36 3 6 1 85 424.565 6 ↓
Mid Mid (pH 6-8) 0.23 6.98 -107.87 4 6 2 87 425.573 6 ↓
Mid Mid (pH 6-8) 0.23 5.99 -25.33 2 6 0 88 423.557 6 ↓
Mid Mid (pH 6-8) 0.23 6.74 -23.19 2 6 0 88 423.557 6 ↓

Activity (Go SEA)

Rings

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

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