UCSF

ZINC09019166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 39 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) 5.92 13.7 -44.29 0 7 -1 88 528.625 12
Mid Mid (pH 6-8) 5.34 1.33 -20.58 0 7 0 82 529.633 12

Activity (Go SEA)

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