UCSF

ZINC19014871

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2008 11 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) -3.00 0.65 -43.7 4 5 0 96 155.157 3
Mid Mid (pH 6-8) -3.00 1.16 -85.35 5 5 1 98 156.165 3

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 250? dec. Alfa-Aesar
Melting_Point ca 250° dec. Alfa-Aesar

Activity (Go SEA)

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