UCSF

ZINC20468960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 18 No

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) 2.39 8.92 -47.26 1 5 1 53 270.74 3
Mid Mid (pH 6-8) 2.39 6.45 -8.85 0 5 0 52 269.732 3

Activity (Go SEA)

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