UCSF

ZINC63752183

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 23 No

Popular Name: (3R)-1-[(2S,7aR)-7-oxo-3,7a-dihydro-2H-thiazolo[4,5-d]pyrimidin-2-yl]-N-butyl-piperidine-3-carboxami (3R)-1-[(2S,7aR)-7-oxo-3,7a-dihy…

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) 0.74 2.44 -18.89 2 7 0 86 337.449 5 ↓
Hi High (pH 8-9.5) 0.74 1.46 -41.26 1 7 -1 88 336.441 5 ↓
Mid Mid (pH 6-8) 0.74 2.87 -54.77 3 7 1 88 338.457 5 ↓

Activity (Go SEA)

Rings

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

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