UCSF

ZINC55118851

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 27 Yes

Popular Name: (5S)-7-[(3,4-difluorophenyl)methyl]-3-[(2-methylpyrimidin-5-yl)methyl]-3,7-diazaspiro[4.5]decane (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) 2.01 9.45 -50.44 1 4 1 33 373.471 4 ↓
Hi High (pH 8-9.5) 2.01 7.4 -8.38 0 4 0 32 372.463 4 ↓
Lo Low (pH 4.5-6) 2.01 9.89 -50.07 1 4 1 33 373.471 4 ↓

Activity (Go SEA)

Rings

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