UCSF

ZINC12359993

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 21 Yes

CAS Number: 131-48-6

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) -4.13 -11.64 -55.77 6 10 -1 180 308.263 5

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 185? dec. Alfa-Aesar
Melting_Point ca 185° dec. Alfa-Aesar

Activity (Go SEA)

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

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