UCSF

ZINC49589242

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 33 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) -0.64 2.24 -61.22 6 10 0 182 478.885 2
Hi High (pH 8-9.5) -0.64 0.82 -59.97 5 10 -1 181 477.877 2
Mid Mid (pH 6-8) -0.64 3.24 -85.54 5 10 -1 185 477.877 2

Activity (Go SEA)

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