UCSF

ZINC43406100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 2.02 4.59 -42.36 3 2 1 41 209.338 3
Hi High (pH 8-9.5) 2.02 4.15 -5.76 2 2 0 39 208.33 3

Activity (Go SEA)

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