UCSF

ZINC04170146

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 26 No

Popular Name: 2-[(3-chloro-1,4-dioxo-2-naphthyl)amino]ethyl 2-[(3-chloro-1,4-dioxo-2-naphthy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.65 8.66 -38.8 0 5 -1 79 372.759 5 ↓
Lo Low (pH 4.5-6) 4.02 9.45 -10.02 1 5 0 72 373.767 6 ↓

Activity (Go SEA)

Rings

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

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