UCSF

ZINC09513631

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 20 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) 1.22 4.05 -56.84 1 6 -1 90 295.388 5
Mid Mid (pH 6-8) 1.04 4.37 -14.77 2 6 0 84 296.396 5

Activity (Go SEA)

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