UCSF

ZINC36118628

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: 4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]-N-[(1R,2S)-2-methylcyclohexyl]benzami 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) -0.08 4.55 -40.49 3 6 1 85 396.511 4 ↓
Hi High (pH 8-9.5) 3.51 6.93 -12.8 2 6 0 82 395.503 5 ↓
Mid Mid (pH 6-8) -0.08 5.34 -24.24 2 6 0 88 395.503 4 ↓
Mid Mid (pH 6-8) -0.08 6.2 -109.78 4 6 2 87 397.519 4 ↓

Activity (Go SEA)

Rings

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

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