UCSF

ZINC19850146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 12 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) -3.35 -8.39 -50.33 7 6 1 126 180.18 5
Mid Mid (pH 6-8) -3.35 -9.42 -50.79 7 6 1 126 180.18 5
Mid Mid (pH 6-8) -3.35 -10.08 -11.65 6 6 0 124 179.172 5
Mid Mid (pH 6-8) -2.97 -10.44 -49.66 6 6 -1 130 178.164 4
Mid Mid (pH 6-8) -2.97 -8.63 -50.06 6 6 -1 130 178.164 4
Mid Mid (pH 6-8) -2.97 -8.6 -27.99 7 6 0 132 179.172 4
Mid Mid (pH 6-8) -3.35 -8.72 -12.1 6 6 0 124 179.172 5

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 192? dec. Alfa-Aesar
Melting_Point ca 192° dec. Alfa-Aesar

Activity (Go SEA)

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