UCSF

ZINC19451160

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 29 Yes

Popular Name: (5S,7R)-5-isopropyl-N-[(1R)-1-methyl-3-morpholino-propyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyra (5S,7R)-5-isopropyl-N-[(1R)-1-me…

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) 2.43 4.59 -10.71 2 7 0 71 417.476 7 ↓
Mid Mid (pH 6-8) 2.43 6.88 -42.39 3 7 1 73 418.484 7 ↓

Activity (Go SEA)

Rings

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

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