UCSF

ZINC95535634

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2013 18 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) -0.32 -2.01 -48.49 4 6 -1 121 261.294 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 162-167? Alfa-Aesar
Melting_Point 162-167° Alfa-Aesar

Activity (Go SEA)

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

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