UCSF

ZINC33577397

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 30 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) 3.25 5.01 -14.72 4 7 0 107 410.518 8
Mid Mid (pH 6-8) 3.25 5.47 -40.81 5 7 1 108 411.526 8

Activity (Go SEA)

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