UCSF

ZINC52573002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 21 Yes

Popular Name: N-[[4-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]thiazol-2-yl]methyl]pro N-[[4-[[(4aS,8aS)-2,3,4a,5,6,7,8…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.31 4.93 -40.41 2 4 1 42 310.487 6 ↓
Hi High (pH 8-9.5) 2.31 3.57 -5.42 1 4 0 37 309.479 6 ↓
Mid Mid (pH 6-8) 2.31 7.17 -92.39 3 4 2 43 311.495 6 ↓

Activity (Go SEA)

Rings

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

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