UCSF

ZINC00225422

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

CAS Number: 148-86-7

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) 3.29 9.15 -8.36 0 2 0 26 212.248 3

Vendor Notes

Note Type Comments Provided By
Boiling_Point 196? Alfa-Aesar
Boiling_Point 196° Alfa-Aesar
Melting_Point 85-90? Alfa-Aesar
Melting_Point 85-90° Alfa-Aesar
MP 87 TCI

Activity (Go SEA)

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