UCSF

ZINC69489837

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: 3-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]methyl]-2H-benzo[e][1,2,4]thiadiaz 3-[[(4aS,8aS)-2,3,4a,5,6,7,8,8a-…

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) 2.08 3.1 -21.95 1 6 0 71 335.429 2 ↓
Mid Mid (pH 6-8) 2.08 2.71 -39.7 0 6 -1 73 334.421 2 ↓
Lo Low (pH 4.5-6) 2.08 4.85 -31.03 1 6 0 74 335.429 2 ↓

Activity (Go SEA)

Rings

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

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