UCSF

ZINC03861129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 14 No

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) 1.59 3.69 -9.29 2 5 0 85 189.174 1
Lo Low (pH 4.5-6) 1.59 3.97 -43.84 3 5 1 86 190.182 1

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 273? dec. Alfa-Aesar
Melting_Point ca 273° dec. Alfa-Aesar

Activity (Go SEA)

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