UCSF

ZINC37183118

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -0.07 6.94 -27.77 2 4 0 60 276.38 5
Mid Mid (pH 6-8) -0.07 8.14 -41.9 2 4 0 57 276.38 5

Activity (Go SEA)

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