UCSF

ZINC33815343

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 28 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) 3.51 10.83 -20.32 0 8 0 78 378.436 8
Mid Mid (pH 6-8) 3.51 11.23 -37.58 1 8 1 79 379.444 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.