UCSF

ZINC33491186

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 35 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) -0.27 9.99 -30.31 3 9 1 106 481.621 10
Mid Mid (pH 6-8) -0.27 12.32 -81.11 4 9 2 107 482.629 10

Activity (Go SEA)

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