UCSF

ZINC35640295

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 34 Yes

Popular Name: (3S)-N-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-8-(2-phenylacetyl)-1-oxa-4,8-diazaspiro[4.5]decan (3S)-N-(2-dimethylaminoethyl)-4-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.21 8.15 -60.58 2 9 1 97 469.562 7 ↓
Hi High (pH 8-9.5) 1.39 5.76 -42.81 1 9 0 103 468.554 7 ↓

Activity (Go SEA)

Rings

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

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