UCSF

ZINC98073688

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2014 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.91 6.05 -111.93 0 7 -2 127 311.315 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 170-173? Alfa-Aesar
Melting_Point 170-173° Alfa-Aesar

Activity (Go SEA)

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

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