UCSF

ZINC38573836

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 Yes

Popular Name: N-[(1S)-2-[(3aR)-spiro[3a,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-1-benzyl-2- N-[(1S)-2-[(3aR)-spiro[3a,5,6,7-…

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) 2.32 7.23 -65.73 3 8 1 100 474.585 6 ↓
Mid Mid (pH 6-8) 2.32 6.16 -15.89 2 8 0 95 473.577 6 ↓

Activity (Go SEA)

Rings

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

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