UCSF

ZINC67491285

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 28 Yes

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3,7-diazaspiro[4.5]de (5S)-7-[(3,4-difluorophenyl)meth…

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) 3.40 9.92 -51.54 1 4 1 33 405.538 5 ↓
Hi High (pH 8-9.5) 3.40 7.87 -9.44 0 4 0 32 404.53 5 ↓
Lo Low (pH 4.5-6) 3.40 10.36 -52.31 1 4 1 33 405.538 5 ↓

Activity (Go SEA)

Rings

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

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