UCSF

ZINC35632638

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 34 Yes

Popular Name: 3-(cyclopropylamino)-4-[4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]piperazin-1-yl]cyclobut-3-ene- 3-(cyclopropylamino)-4-[4-[[5-(2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 0.78 5.78 -33.75 2 7 1 81 458.538 5 ↓
Mid Mid (pH 6-8) 0.78 8.04 -106.97 3 7 2 83 459.546 5 ↓
Mid Mid (pH 6-8) 0.78 8.81 -67.73 2 7 1 85 458.538 5 ↓
Mid Mid (pH 6-8) 0.78 6.55 -19.11 1 7 0 84 457.53 5 ↓

Activity (Go SEA)

Rings

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

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