UCSF

ZINC01680856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 Yes

CAS Number: 106-20-7

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.13 10.78 -38.23 2 1 1 17 242.471 12

Vendor Notes

Note Type Comments Provided By
Boiling_Point 281? Alfa-Aesar
Boiling_Point 281° Alfa-Aesar
Melting_Point <-60? Alfa-Aesar
Melting_Point <-60° Alfa-Aesar

Activity (Go SEA)

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