UCSF

ZINC16578126

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 36 Yes

Popular Name: 1'-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-5-phenyl-spiro[1,3-dioxane-2,3'-indoline]-2'- 1'-[[4-(4-fluorophenyl)piperazin…

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) 5.01 11.79 -11.55 0 6 0 45 487.575 4 ↓
Lo Low (pH 4.5-6) 5.01 14.05 -47.96 1 6 1 46 488.583 4 ↓

Activity (Go SEA)

Rings

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