UCSF

ZINC35515326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 33 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) 2.43 5.72 -12.82 1 8 0 92 450.491 6
Mid Mid (pH 6-8) 2.43 7.98 -45.83 2 8 1 94 451.499 6

Activity (Go SEA)

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