UCSF

ZINC13218211

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 24 Yes

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) 3.30 6.12 -41.25 2 4 1 47 327.448 4
Lo Low (pH 4.5-6) 3.30 6.4 -92.29 3 4 2 48 328.456 4

Vendor Notes

Note Type Comments Provided By
therap depigmentor MicroSource Spectrum

Activity (Go SEA)

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

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