UCSF

ZINC00197173

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 Yes

CAS Number: 93438-27-8

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) 3.23 12.71 -8.25 1 8 0 76 342.403 4
Mid Mid (pH 6-8) 3.23 13.17 -27.64 2 8 1 77 343.411 4

Vendor Notes

Note Type Comments Provided By
Melting_Point 171-174? Alfa-Aesar
Melting_Point 171-174° Alfa-Aesar

Activity (Go SEA)

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