UCSF

ZINC43509505

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 24 No

CAS Number: 69304-47-8

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) 1.29 1.26 -19.5 3 7 0 105 403.273 3
Hi High (pH 8-9.5) 1.74 -1.37 -64.18 2 7 -1 108 402.265 3

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 165? dec. Alfa-Aesar
Melting_Point ca 165° dec. Alfa-Aesar

Activity (Go SEA)

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