UCSF

ZINC76945641

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2012 27 No

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) 8.55 17.36 -7.88 0 5 0 72 377.525 17

Vendor Notes

Note Type Comments Provided By
Melting_Point 65-66? Alfa-Aesar
Melting_Point 65-66° Alfa-Aesar

Activity (Go SEA)

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

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