UCSF

ZINC69080711

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 Yes

Popular Name: (2R)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-cyclopropyl-2-(propylamino) (2R)-3-[(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) 2.95 6.05 -4.58 1 4 0 48 291.439 6 ↓
Mid Mid (pH 6-8) 2.95 6.14 -36.24 2 4 1 49 292.447 6 ↓
Lo Low (pH 4.5-6) 2.95 7.2 -45.95 2 4 1 53 292.447 6 ↓

Activity (Go SEA)

Rings

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

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