UCSF

ZINC37015788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.27 1.92 -42.22 5 6 1 110 248.262 2
Mid Mid (pH 6-8) 0.27 1.63 -11.32 4 6 0 108 247.254 2

Activity (Go SEA)

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