UCSF

ZINC00826900

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 26 No

Popular Name: 1,1'-Isophthaloylbis(azepan-2-one) 1,1'-Isophthaloylbis(azepan-2-one)

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7381-13-7 , [7381-13-7]

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) 1.32 11.18 -37.91 0 6 0 75 356.422 2 ↓

Activity (Go SEA)

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