UCSF

ZINC12359011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 19 No

CAS Number: 2481-94-9

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) 4.98 1.52 -6.98 0 3 0 28 253.349 5

Vendor Notes

Note Type Comments Provided By
Melting_Point 93-96? Alfa-Aesar
Melting_Point 93-96° Alfa-Aesar

Activity (Go SEA)

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