UCSF

ZINC55568932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 19 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) 2.84 5.36 -5.49 0 3 0 25 296.823 6
Mid Mid (pH 6-8) 2.84 7.6 -33.55 1 3 1 27 297.831 6

Activity (Go SEA)

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