UCSF

ZINC40812500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 28 No

CAS Number: 80-97-7

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) 7.80 12.39 -1.33 1 1 0 20 388.68 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 140-144? Alfa-Aesar
Melting_Point 140-144° Alfa-Aesar

Activity (Go SEA)

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