UCSF

ZINC62524863

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 20 Yes

Popular Name: (2S)-4-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(cyclopropylamino)butanamid (2S)-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) 1.28 0.44 -7.29 3 5 0 68 281.4 6 ↓
Mid Mid (pH 6-8) 1.28 1.35 -40.94 4 5 1 72 282.408 6 ↓
Mid Mid (pH 6-8) 1.28 2.64 -42.45 4 5 1 69 282.408 6 ↓
Lo Low (pH 4.5-6) 1.28 3.55 -117.82 5 5 2 73 283.416 6 ↓

Activity (Go SEA)

Rings

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

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