UCSF

ZINC19230790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 21 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) 5.24 8.34 -49.02 3 3 1 46 359.328 10
Mid Mid (pH 6-8) 5.24 9.1 -63.49 2 3 0 49 358.32 10

Activity (Go SEA)

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