UCSF

ZINC33490466

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 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) -0.77 9.21 -30.12 3 9 1 106 467.594 9
Mid Mid (pH 6-8) -0.77 11.54 -80.94 4 9 2 107 468.602 9

Activity (Go SEA)

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