UCSF

ZINC43798999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 18 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) 0.07 3.9 -60.24 3 5 1 62 250.322 2
Hi High (pH 8-9.5) 0.07 2.54 -14.01 2 5 0 57 249.314 2

Activity (Go SEA)

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