UCSF

ZINC59651141

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 9 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) 3.36 7.02 -1.37 0 0 0 0 122.211 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 97-99? Alfa-Aesar
Melting_Point 97-99° Alfa-Aesar

Activity (Go SEA)

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

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