UCSF

ZINC55072274

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 26 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) 2.77 7.57 -41.12 2 6 1 67 376.502 7
Mid Mid (pH 6-8) 2.77 6.34 -13.77 1 6 0 66 375.494 7

Activity (Go SEA)

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