UCSF

ZINC37808732

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 2.39 6.55 -42.46 3 3 1 48 269.796 6
Hi High (pH 8-9.5) 2.39 6.26 -5.23 2 3 0 46 268.788 6

Activity (Go SEA)

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