UCSF

ZINC06914173

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 26 Yes

Popular Name: N-(3,5-dimethylphenyl)-4-(7,7-dioxo-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,9,11-tetraen-9-yl) N-(3,5-dimethylphenyl)-4-(7,7-di…

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) 3.49 6.73 -34.89 2 6 0 88 371.462 5 ↓
Hi High (pH 8-9.5) 2.84 -4.44 -49.39 1 6 -1 89 370.454 5 ↓

Activity (Go SEA)

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