UCSF

ZINC37854574

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 3.45 8.59 -43.97 2 1 1 17 250.412 6
Mid Mid (pH 6-8) 3.45 7.25 -3.77 1 1 0 12 249.404 6

Activity (Go SEA)

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