UCSF

ZINC34579241

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 3.48 9.22 -7.05 1 2 0 23 291.394 3
Lo Low (pH 4.5-6) 3.48 9.84 -34.63 2 2 1 25 292.402 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 142-144? Alfa-Aesar
Melting_Point 142-144° Alfa-Aesar

Activity (Go SEA)

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