UCSF

ZINC49785202

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 34 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) 0.88 1.94 -249.69 4 15 -3 241 538.392 12
Mid Mid (pH 6-8) 0.88 0.78 -129.63 5 15 -2 238 539.4 12

Activity (Go SEA)

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