UCSF

ZINC33296050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 29 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) 2.24 7.32 -32.32 4 11 1 142 416.853 6
Mid Mid (pH 6-8) 2.24 4.44 -8.49 3 11 0 140 415.845 6

Activity (Go SEA)

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