UCSF

ZINC43408723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 3.60 9.07 -32.14 3 3 1 43 290.456 3
Mid Mid (pH 6-8) 3.60 8.65 -10.71 2 3 0 42 289.448 3

Activity (Go SEA)

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