UCSF

ZINC37041872

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 Yes

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) 3.37 7.31 -41.84 4 3 1 57 277.432 9
Mid Mid (pH 6-8) 3.37 7.02 -6.45 3 3 0 55 276.424 9

Activity (Go SEA)

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