UCSF

ZINC40449087

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 Yes

Popular Name: 2-isopropyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic 2-isopropyl-6-methyl-1,4,5,7-tet…

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) 1.64 7.05 -73.34 2 4 0 60 222.288 2 ↓
Hi High (pH 8-9.5) 1.64 4.67 -57.37 1 4 -1 59 221.28 2 ↓

Activity (Go SEA)

Rings

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

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