UCSF

ZINC43456587

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 3.56 8.75 -40.94 2 2 1 29 249.422 9
Mid Mid (pH 6-8) 3.56 9.18 -102.99 3 2 2 31 250.43 9

Activity (Go SEA)

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