UCSF

ZINC43424346

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

Popular Name: [(1S,2S)-2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]cycloheptyl]methanamine [(1S,2S)-2-[(4aS,8aS)-2,3,4a,5,6…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.66 5.63 -115.97 4 3 2 41 268.445 2 ↓
Mid Mid (pH 6-8) 2.66 3.91 -46.69 3 3 1 40 267.437 2 ↓

Activity (Go SEA)

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