UCSF

ZINC26822130

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 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) -1.41 -3.83 -49.39 7 9 1 144 330.409 9
Mid Mid (pH 6-8) -1.41 -4.16 -13.25 6 9 0 142 329.401 9

Activity (Go SEA)

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