UCSF

ZINC10502794

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 24 Yes

Popular Name: N-[2-(5-bromo-2-thienyl)ethyl]-7-isopropyl-4-methyl-5,7,8-triazabicyclo[4.3.0]nona-2,4,8,10-tetraene N-[2-(5-bromo-2-thienyl)ethyl]-7…

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) 3.73 -2.16 -13.75 1 5 0 59 407.337 5 ↓

Activity (Go SEA)

Rings

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

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