UCSF

ZINC67934144

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 23 Yes

Popular Name: 1-[4-[[(5S)-7-(2-methoxyethyl)-3,7-diazaspiro[4.5]decan-3-yl]methyl]-2-thienyl]ethanone 1-[4-[[(5S)-7-(2-methoxyethyl)-3…

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) 2.09 7.61 -42.63 1 4 1 34 337.509 6 ↓
Hi High (pH 8-9.5) 2.09 5.1 -8.3 0 4 0 33 336.501 6 ↓
Mid Mid (pH 6-8) 2.09 7.22 -38.06 1 4 1 34 337.509 6 ↓

Activity (Go SEA)

Rings

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

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