UCSF

ZINC25149957

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 26 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) 1.17 8.58 -11.19 1 8 0 107 371.422 5
Mid Mid (pH 6-8) 1.63 6.79 -48.94 0 8 -1 110 370.414 5

Activity (Go SEA)

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