UCSF

ZINC13410813

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 24 No

Popular Name: 2-[2-(5-nitro-2-pyridyl)ethylamino]naphthalene-1,4-dione 2-[2-(5-nitro-2-pyridyl)ethylami…

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) 1.77 6.7 -11.93 0 7 0 105 323.308 4 ↓
Hi High (pH 8-9.5) 2.85 6.49 -42.88 0 7 -1 111 322.3 4 ↓
Lo Low (pH 4.5-6) 1.77 5.97 -41.17 1 7 1 106 324.316 4 ↓

Activity (Go SEA)

Rings

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

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