UCSF

ZINC37181656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 18 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) -0.64 7.57 -76.08 3 4 1 61 249.334 5
Mid Mid (pH 6-8) -0.64 6.53 -41.46 2 4 0 57 248.326 5

Activity (Go SEA)

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