UCSF

ZINC71173489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 19 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) 0.26 4.96 -64.77 2 6 -1 99 260.273 3
Mid Mid (pH 6-8) 0.26 5.39 -44.54 3 6 0 101 261.281 3

Activity (Go SEA)

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