UCSF

ZINC58166853

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 22 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) 2.91 7.87 -41.66 2 4 1 46 320.413 4
Mid Mid (pH 6-8) 2.91 5.73 -9.49 1 4 0 45 319.405 4

Activity (Go SEA)

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