UCSF

ZINC37798794

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) 2.74 6.68 -48.17 3 4 1 57 342.257 4
Mid Mid (pH 6-8) 2.74 6.51 -6.72 2 4 0 56 341.249 4

Activity (Go SEA)

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