UCSF

ZINC16732500

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 No

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) 3.82 12.86 -73.56 1 9 0 120 479.533 12
Hi High (pH 8-9.5) 3.82 10.64 -54.55 0 9 -1 119 478.525 12
Mid Mid (pH 6-8) 4.27 11.75 -68.91 2 9 1 117 480.541 11
Mid Mid (pH 6-8) 3.24 12.77 -72.96 1 9 1 114 480.541 12

Activity (Go SEA)

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