UCSF

ZINC43984558

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 Yes

Popular Name: (1S,2S)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-1-phenyl-pro (1S,2S)-2-[(4aS,7aS)-3,4a,5,6,7,…

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) 2.77 6 -38.71 2 3 1 29 275.416 4 ↓
Lo Low (pH 4.5-6) 2.77 7.77 -119.85 3 3 2 30 276.424 4 ↓

Activity (Go SEA)

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