UCSF

ZINC63003250

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 15 Yes

Popular Name: (3R,4aS,7aR)-3-phenyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine (3R,4aS,7aR)-3-phenyl-2,3,4,4a,5…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.41 5.87 -34.72 2 2 1 26 204.293 1 ↓
Hi High (pH 8-9.5) 2.41 4.88 -2.16 1 2 0 21 203.285 1 ↓

Activity (Go SEA)

Rings

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

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