UCSF

ZINC67946698

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 Yes

Popular Name: (5R)-3-[(5-chloro-2,3-dimethoxy-phenyl)methyl]-3,7-diazaspiro[4.5]decane (5R)-3-[(5-chloro-2,3-dimethoxy-…

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) 2.23 5.4 -43.69 2 4 1 38 325.86 4 ↓
Lo Low (pH 4.5-6) 2.23 8.03 -103.63 3 4 2 40 326.868 4 ↓

Activity (Go SEA)

Rings

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

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