UCSF

ZINC65534438

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 Yes

Popular Name: ethyl 1-{4-nitrophenyl}-2-methyl-1H-pyrido[3,2-b]indole-3-carboxylate ethyl 1-{4-nitrophenyl}-2-methyl…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD01241822

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) -0.45 2.96 -45.44 2 8 1 78 345.427 3 ↓
Mid Mid (pH 6-8) -0.45 2.78 -45.37 2 8 1 78 345.427 3 ↓
Mid Mid (pH 6-8) -0.45 0.52 -13.13 1 8 0 77 344.419 3 ↓

Activity (Go SEA)

Rings

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

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