UCSF

ZINC37808855

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 2.71 7.05 -48.65 3 3 1 48 340.285 6
Mid Mid (pH 6-8) 2.71 6.72 -6.54 2 3 0 46 339.277 6

Activity (Go SEA)

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