UCSF

ZINC35698140

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 1.61 4.37 -14.05 1 5 0 60 291.357 2
Mid Mid (pH 6-8) 2.07 3.07 -39.87 0 5 -1 63 290.349 2

Activity (Go SEA)

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