UCSF

ZINC38573807

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 15 Yes

Popular Name: (3aR,4S)-4-phenyl-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aR,4S)-4-phenyl-4,5,6,7-tetrah…

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) 1.45 3.38 -47.95 2 3 1 41 200.265 1 ↓
Mid Mid (pH 6-8) 1.45 2.18 -5.44 1 3 0 37 199.257 1 ↓

Activity (Go SEA)

Rings

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

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