UCSF

ZINC04952902

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 27 Yes

Popular Name: 9-chloro-N-(2-methoxyethyl)-3-phenyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-7,9-diene-8- 9-chloro-N-(2-methoxyethyl)-3-ph…

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) 3.02 5.75 -11.12 2 6 0 68 402.804 6 ↓
Mid Mid (pH 6-8) 3.19 6.18 -32.52 3 6 1 73 403.812 6 ↓

Activity (Go SEA)

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