UCSF

ZINC04521886

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 19 Yes

CAS Number: 102-86-3

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) 7.69 3.48 -33.93 1 1 1 4 270.525 15

Vendor Notes

Note Type Comments Provided By
Boiling_Point 263-265? Alfa-Aesar
Boiling_Point 263-265° Alfa-Aesar
BP 265 TCI
BP 291 TCI
Melting_Point <-75? Alfa-Aesar
Melting_Point <-75° Alfa-Aesar

Activity (Go SEA)

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