UCSF

ZINC16741477

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 1.68 2.6 -21.71 3 9 0 126 469.49 12
Mid Mid (pH 6-8) 1.09 3.27 -30.32 2 9 0 123 469.49 12

Activity (Go SEA)

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