UCSF

ZINC08551106

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 31 No

CAS Numbers: 130-40-5 , 6184-17-4

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) -1.43 -4.32 -147.77 4 13 -2 214 454.332 7
Mid Mid (pH 6-8) -1.43 -5.47 -59.92 5 13 -1 211 455.34 7

Vendor Notes

Note Type Comments Provided By
Melting_Point >300? Alfa-Aesar
Melting_Point >300° Alfa-Aesar

Activity (Go SEA)

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