UCSF

ZINC38247136

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 15 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) 2.44 5.72 -45.28 2 2 1 20 229.706 1
Hi High (pH 8-9.5) 2.44 4.4 -2.74 1 2 0 15 228.698 1

Activity (Go SEA)

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