UCSF

ZINC48488593

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2010 20 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) 2.70 3.76 -16.17 3 5 0 70 297.786 4
Mid Mid (pH 6-8) 2.39 -1.47 -5.63 3 5 0 77 297.786 5

Activity (Go SEA)

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