UCSF

ZINC20678828

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 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) 4.74 12.37 -16.66 1 5 0 37 465.594 10
Mid Mid (pH 6-8) 4.74 14.71 -44.74 2 5 1 38 466.602 10

Activity (Go SEA)

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