UCSF

ZINC38573891

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 Yes

Popular Name: (2R,7aS)-N-[2-(2H-indol-3-yl)ethyl]-5,6-dimethoxy-1-methyl-2,3,7,7a-tetrahydroindole-2-carboxamide (2R,7aS)-N-[2-(2H-indol-3-yl)eth…

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) 0.61 8.34 -46.71 3 6 1 68 382.484 6 ↓
Hi High (pH 8-9.5) 0.61 5.84 -14.22 2 6 0 67 381.476 6 ↓

Activity (Go SEA)

Rings

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

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