UCSF

ZINC43798824

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 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) -0.12 5.09 -59.36 2 6 1 72 273.353 7
Hi High (pH 8-9.5) -0.12 3.74 -12.97 1 6 0 68 272.345 7

Activity (Go SEA)

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