UCSF

ZINC84845502

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 19 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) 0.30 4.52 -40.61 1 5 -1 86 322.815 7

Vendor Notes

Note Type Comments Provided By
Melting_Point 102-103? Alfa-Aesar
Melting_Point 102-103° Alfa-Aesar

Activity (Go SEA)

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

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