UCSF

ZINC65535168

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 No

Popular Name: (3aR,4R)-4-[(2S,3S,8aR)-6-chloro-2-methyl-1,2,3,8a-tetrahydroimidazo[1,2-a]pyridin-3-yl]-4,5,6,7-tet (3aR,4R)-4-[(2S,3S,8aR)-6-chloro…

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) 1.05 3.41 -37.74 4 5 1 57 292.794 1 ↓
Hi High (pH 8-9.5) 1.05 3.86 -5.9 3 5 0 56 291.786 1 ↓
Lo Low (pH 4.5-6) 1.05 4.69 -103.36 5 5 2 62 293.802 1 ↓
Lo Low (pH 4.5-6) 1.05 4.19 -43.44 4 5 1 61 292.794 1 ↓

Activity (Go SEA)

Rings

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

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