UCSF

ZINC37987663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 14 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) -0.36 0.63 -41.99 4 2 1 48 206.187 3
Mid Mid (pH 6-8) -0.36 0.25 -6.02 3 2 0 46 205.179 3

Activity (Go SEA)

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