UCSF

ZINC37834193

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.84 5 -12.71 0 5 0 57 346.269 7
Mid Mid (pH 6-8) 0.84 7.26 -48.82 1 5 1 58 347.277 7

Activity (Go SEA)

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