UCSF

ZINC02791069

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 30 No

Popular Name: 2-cyclopropyl-4-(difluoromethyl)-9-(4-nitrobenzoyl)amino-7-thia-5-azabicyclo[4.3.0]nona-2,4,8,10-tet 2-cyclopropyl-4-(difluoromethyl)…

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) 3.11 8.44 -15.79 3 8 0 131 432.408 6 ↓
Lo Low (pH 4.5-6) 3.11 8.68 -47.25 4 8 1 132 433.416 6 ↓

Activity (Go SEA)

Rings

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