UCSF

ZINC12231877

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 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) -0.31 -0.73 -16.92 2 11 0 132 375.389 6
Mid Mid (pH 6-8) -0.31 -0.57 -38.16 3 11 1 133 376.397 6

Activity (Go SEA)

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