UCSF

ZINC98214681

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 23 Yes

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) 4.08 10.71 -14.56 0 5 0 50 312.369 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-114? Alfa-Aesar
Melting_Point 110-114° Alfa-Aesar

Activity (Go SEA)

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

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