UCSF

ZINC53425795

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-[(5-chloro-2-thienyl)methyl 2-[(4aS,7aS)-3,4a,5,6,7,7a-hexah…

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) 2.96 5.16 -47.48 2 3 1 29 301.863 5 ↓
Mid Mid (pH 6-8) 2.96 3.81 -3.61 1 3 0 24 300.855 5 ↓
Lo Low (pH 4.5-6) 2.96 6.05 -37.74 2 3 1 26 301.863 5 ↓
Lo Low (pH 4.5-6) 2.96 7.39 -128.37 3 3 2 30 302.871 5 ↓

Activity (Go SEA)

Rings

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

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