UCSF

ZINC27020886

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 31 No

Popular Name: (5S)-5-(4-chlorophenyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-1-(3-methoxypropyl)-5H (5S)-5-(4-chlorophenyl)-4-(2,3-d…

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) 2.82 7.54 -61.39 0 7 -1 88 442.875 7 ↓
Lo Low (pH 4.5-6) 2.82 6.73 -19.32 1 7 0 85 443.883 7 ↓

Activity (Go SEA)

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