UCSF

ZINC43423811

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 Yes

Popular Name: (1S,2S)-1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-1-(4-pyridyl)butan-2- (1S,2S)-1-[(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) 1.11 2.58 -51.17 3 4 1 53 276.404 4 ↓
Lo Low (pH 4.5-6) 1.11 3.04 -100.55 4 4 2 54 277.412 4 ↓
Lo Low (pH 4.5-6) 1.11 4.71 -119.04 4 4 2 54 277.412 4 ↓

Activity (Go SEA)

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