UCSF

ZINC33882538

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 17 Yes

Popular Name: (E)-2,3,4,4a,5,6,7-Octahydro-9-methoxybenzo(6,7)cyclohept(1,2-b)(1,4)oxazine; Benzo(6,7)cyclohept(1,2-b)(1,4)oxazine, 2,3,4,4a,5,6,7,11b-octahydro-9-methoxy-, (E)-; LS-33950 (E)-2,3,4,4a,5,6,7-Octahydro-9-m…

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) 2.33 4.67 -43.22 2 3 1 35 234.319 1 ↓
Hi High (pH 8-9.5) 2.33 3.36 -4.75 1 3 0 30 233.311 1 ↓

Activity (Go SEA)

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