UCSF

ZINC08580585

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 27 No

CAS Number: 85-86-9

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) 6.03 10.93 -11.24 1 5 0 66 352.397 4
Ref Reference (pH 7) 7.21 7.79 -10.08 1 5 0 70 352.397 4

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 200? dec. Alfa-Aesar
Melting_Point ca 200° dec. Alfa-Aesar

Activity (Go SEA)

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