UCSF

ZINC21992492

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 17 Yes

CAS Number: 59-06-3

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) 1.77 4.96 -14.75 1 5 0 65 237.255 5

Vendor Notes

Note Type Comments Provided By
Purity 98.0-102.0 APIChem

Activity (Go SEA)

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

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