UCSF

ZINC43427051

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 12 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) 1.81 3.05 -2.54 0 2 0 12 234.137 2
Mid Mid (pH 6-8) 1.81 5.3 -35.75 1 2 1 14 235.145 2

Activity (Go SEA)

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