UCSF

ZINC00157109

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

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) 0.14 3.39 -9.95 0 3 0 60 129.122 0
Lo Low (pH 4.5-6) 0.14 3.66 -56.51 1 3 1 62 130.13 0

Vendor Notes

Note Type Comments Provided By
Melting_Point 78-82? Alfa-Aesar
Melting_Point 78-82° Alfa-Aesar

Activity (Go SEA)

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