UCSF

ZINC12358926

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 28 No

CAS Number: 6160-78-7

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) 1.45 -5.11 -18.15 4 8 0 130 394.42 3

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 260? dec. Alfa-Aesar
Melting_Point ca 260° dec. Alfa-Aesar

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.