UCSF

ZINC37210669

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 34 No

Popular Name: (5S)-3-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]spiro[imidazolidine-5,1'-tetralin]-2,4- (5S)-3-[[4-(4-fluorophenyl)sulfo…

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) 2.86 7.31 -13.39 1 8 0 90 486.569 4 ↓
Lo Low (pH 4.5-6) 2.86 9.28 -44.09 2 8 1 91 487.577 4 ↓

Activity (Go SEA)

Rings

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