UCSF

ZINC65539957

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 No

Popular Name: (5S)-3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-7-thia-3-azaspiro[4.4]nonane-2,4-dione (5S)-3-[[methyl-[2-(3-methylphen…

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) 1.97 7 -12.7 0 5 0 50 348.468 6 ↓
Lo Low (pH 4.5-6) 1.97 9.42 -42.14 1 5 1 51 349.476 6 ↓

Activity (Go SEA)

Rings

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

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