UCSF

ZINC35639531

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3R)-4-benzoyl-8-(2,2-dimethylpropanoyl)-N-(4-pyridylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carbo (3R)-4-benzoyl-8-(2,2-dimethylpr…

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) 1.45 6.37 -18.94 1 8 0 92 464.566 5 ↓
Lo Low (pH 4.5-6) 1.45 6.83 -59.53 2 8 1 93 465.574 5 ↓

Activity (Go SEA)

Rings

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

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