UCSF

ZINC43537500

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 1.15 4.8 -37.56 1 4 1 33 213.692 1
Mid Mid (pH 6-8) 1.15 2.44 -5.74 0 4 0 32 212.684 1

Activity (Go SEA)

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