UCSF

ZINC09529284

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 23 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) 2.54 -3.62 -12.74 2 5 0 67 353.875 7
Mid Mid (pH 6-8) 2.54 -3.37 -37.92 3 5 1 68 354.883 7

Activity (Go SEA)

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