UCSF

ZINC17058666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 1.92 4.4 -68.33 1 9 -1 127 487.554 10
Mid Mid (pH 6-8) 2.37 4.66 -19.69 2 9 0 124 488.562 9

Activity (Go SEA)

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