UCSF

ZINC20469054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 17 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) 3.56 7.92 -6.14 0 2 0 16 248.757 3
Mid Mid (pH 6-8) 3.56 8.33 -25.49 1 2 1 17 249.765 3

Activity (Go SEA)

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