UCSF

ZINC36161779

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.42 -0.29 -51.87 2 6 1 71 276.382 2
Hi High (pH 8-9.5) -1.42 -2.45 -15.38 1 6 0 70 275.374 2
Mid Mid (pH 6-8) -1.42 0.98 -115.92 3 6 2 75 277.39 2
Mid Mid (pH 6-8) -1.42 -1.15 -59.56 2 6 1 74 276.382 2

Activity (Go SEA)

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