UCSF

ZINC19855485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 31 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) 4.63 9.83 -16.75 1 6 0 59 477.362 4
Mid Mid (pH 6-8) 4.63 10.22 -32.05 2 6 1 61 478.37 4

Activity (Go SEA)

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