UCSF

ZINC12358808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 16 No

CAS Number: 2595-97-3

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 -9.7 -8.24 5 6 0 110 236.264 1

Vendor Notes

Note Type Comments Provided By
Melting_Point 143-146? Alfa-Aesar
Melting_Point 143-146° Alfa-Aesar

Activity (Go SEA)

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