UCSF

ZINC39985792

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 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) 2.67 6.55 -32.79 1 3 1 17 269.796 4
Mid Mid (pH 6-8) 2.67 6.56 -32.47 1 3 1 17 269.796 4
Mid Mid (pH 6-8) 2.67 4.28 -3.39 0 3 0 16 268.788 4

Activity (Go SEA)

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