UCSF

ZINC37853564

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) -0.22 0.22 -7.96 2 4 0 51 215.293 9
Mid Mid (pH 6-8) -0.22 1.6 -42.5 3 4 1 55 216.301 9

Activity (Go SEA)

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