UCSF

ZINC03877857

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 16 No

Popular Name: 1-(2-nitrophenyl)-1,4-diazepane 1-(2-nitrophenyl)-1,4-diazepane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 299425-72-2 , 450352-64-4

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) 1.52 6.32 -43.42 2 5 1 66 222.268 2 ↓

Activity (Go SEA)

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