UCSF

ZINC26144863

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 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) 2.08 8.53 -37.6 1 6 1 58 338.424 9
Mid Mid (pH 6-8) 2.08 6.53 -11.57 0 6 0 57 337.416 9

Activity (Go SEA)

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