UCSF

ZINC22651064

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 37 Yes

Popular Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]pyran-4-one 5-[(4-tert-butylphenyl)methoxy]-…

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) 4.96 17.32 -69.67 1 6 1 64 503.663 9 ↓
Hi High (pH 8-9.5) 4.96 15.35 -23.23 0 6 0 63 502.655 9 ↓

Activity (Go SEA)

Rings

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

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