UCSF

ZINC20264868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 34 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) 3.61 7.94 -55 0 7 -1 82 481.956 9
Mid Mid (pH 6-8) 3.61 10.28 -66.35 1 7 0 83 482.964 9

Activity (Go SEA)

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