UCSF

ZINC75629374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 22 No

Popular Name: 1-Boc-4-(2-nitrophenyl)piperazine 1-Boc-4-(2-nitrophenyl)piperazine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 108481-92-1 , 170017-73-9 , [170017-73-9]

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) 2.88 8.75 -10.39 0 7 0 79 307.35 4 ↓

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.