UCSF

ZINC37718364

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 20 Yes

Popular Name: (2S,3aR,7aS)-N-[2-(3-pyridyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (2S,3aR,7aS)-N-[2-(3-pyridyl)eth…

Find On: PubMed — Wikipedia — Google

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) 2.56 5.14 -42.08 3 4 1 59 274.388 4 ↓
Hi High (pH 8-9.5) 2.56 3.85 -12.64 2 4 0 54 273.38 4 ↓
Lo Low (pH 4.5-6) 2.56 5.6 -83.58 4 4 2 60 275.396 4 ↓

Activity (Go SEA)

Rings

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

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