UCSF

ZINC55283609

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 31 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) 3.52 9.51 -13.06 1 6 0 54 425.573 10
Mid Mid (pH 6-8) 3.52 9.54 -40.44 2 6 1 55 426.581 10

Activity (Go SEA)

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