UCSF

ZINC43410758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 0.77 1.36 -16.13 5 5 0 94 264.354 4
Mid Mid (pH 6-8) 0.77 1.66 -45.41 6 5 1 95 265.362 4

Activity (Go SEA)

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