UCSF

ZINC59769817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 42 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) -0.10 0.33 -249.71 17 12 4 241 602.91 29
Hi High (pH 8-9.5) -0.10 0.03 -161.57 16 12 3 239 601.902 29

Activity (Go SEA)

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