UCSF

ZINC98572915

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2015 26 Yes

CAS Number: 51811-82-6

Other Names:

MFCD00081642

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) 4.36 8.98 -9.41 2 4 0 62 353.462 2

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 300? Alfa-Aesar
Melting_Point ca 300° Alfa-Aesar

Activity (Go SEA)

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

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