UCSF

ZINC12359212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 13 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) 1.51 4.35 -47.74 0 3 -1 49 183.158 3

Vendor Notes

Note Type Comments Provided By
Melting_Point 106-110? Alfa-Aesar
Melting_Point 106-110° Alfa-Aesar

Activity (Go SEA)

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