UCSF

ZINC63752170

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 26 No

Popular Name: (3R)-1-[(2S,7aR)-7-oxo-3,7a-dihydro-2H-thiazolo[4,5-d]pyrimidin-2-yl]-N-(4-chlorophenyl)piperidine-3 (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) 1.68 4.28 -20.14 2 7 0 86 391.884 3 ↓
Hi High (pH 8-9.5) 1.68 3.31 -41.71 1 7 -1 88 390.876 3 ↓
Mid Mid (pH 6-8) 1.68 4.5 -53.66 3 7 1 88 392.892 3 ↓
Mid Mid (pH 6-8) 1.68 4.71 -56.78 3 7 1 88 392.892 3 ↓

Activity (Go SEA)

Rings

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

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