UCSF

ZINC55042690

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 29 Yes

Popular Name: (5S)-7-[(2,3-dimethoxyphenyl)methyl]-3-[(2-methylpyrimidin-5-yl)methyl]-3,7-diazaspiro[4.5]decane (5S)-7-[(2,3-dimethoxyphenyl)met…

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) 1.57 8.56 -43.08 1 6 1 52 397.543 6 ↓
Hi High (pH 8-9.5) 1.57 6.44 -8.46 0 6 0 51 396.535 6 ↓

Activity (Go SEA)

Rings

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

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