UCSF

ZINC43433187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.35 8.52 -123.24 1 6 -2 109 297.351 7
Mid Mid (pH 6-8) 0.35 6.37 -59.9 2 6 -1 107 298.359 7

Activity (Go SEA)

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