UCSF

ZINC53934428

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (1S)-3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-methyl-1-phenyl-propan-1-am (1S)-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) 2.31 7.78 -37.19 2 3 1 26 289.443 5 ↓
Hi High (pH 8-9.5) 2.31 6.67 -42.71 2 3 1 29 289.443 5 ↓
Mid Mid (pH 6-8) 2.31 5.55 -3.41 1 3 0 24 288.435 5 ↓
Lo Low (pH 4.5-6) 2.31 8.9 -118.07 3 3 2 30 290.451 5 ↓

Activity (Go SEA)

Rings

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

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