UCSF

ZINC69079860

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 17 Yes

Popular Name: (2R)-3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-pr (2R)-3-[(4aR,7aS)-3,4a,5,6,7,7a-…

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) 1.19 1.73 -6.8 2 4 0 62 235.331 3 ↓
Lo Low (pH 4.5-6) 1.19 2.43 -49.03 3 4 1 64 236.339 3 ↓
Lo Low (pH 4.5-6) 1.19 3.62 -43.4 3 4 1 63 236.339 3 ↓

Activity (Go SEA)

Rings

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

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