UCSF

ZINC22779827

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 25 No

Popular Name: N,N-diethyl-N'-(5-methyl-8-nitro-pyrido[4,3-b]indol-1-yl)ethane-1,2-diamine N,N-diethyl-N'-(5-methyl-8-nitro…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.31 10.23 -43.57 2 7 1 83 342.423 6 ↓
Hi High (pH 8-9.5) 3.14 8.24 -10.04 1 7 0 79 341.415 7 ↓
Hi High (pH 8-9.5) 3.14 9.02 -38.06 2 7 1 80 342.423 7 ↓

Activity (Go SEA)

Rings

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

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