UCSF

ZINC39880740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.79 8.66 -55.44 3 9 0 132 400.863 12
Mid Mid (pH 6-8) 1.79 7.57 -29.93 3 9 0 135 400.863 12

Activity (Go SEA)

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