UCSF

ZINC04096433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 28 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) 4.25 -2.63 -47.99 2 4 -1 80 391.572 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 172-176? Alfa-Aesar
Melting_Point 172-176° Alfa-Aesar

Activity (Go SEA)

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