UCSF

ZINC55154111

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 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) 2.06 6.29 -11.74 0 5 0 42 324.38 3
Mid Mid (pH 6-8) 2.06 8.5 -45.93 1 5 1 43 325.388 3

Activity (Go SEA)

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