UCSF

ZINC09698350

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 19 Yes

Popular Name: 8-ethyl-3-methyl-9-phenyl-2,6,7-triazabicyclo[4.3.0]nona-3,7,9-trien-5-one 8-ethyl-3-methyl-9-phenyl-2,6,7-…

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) 2.98 7.76 -17.79 1 4 0 50 253.305 2 ↓

Activity (Go SEA)

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