UCSF

ZINC43395193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 2.03 5.73 -15.23 1 3 0 57 202.257 1
Hi High (pH 8-9.5) 2.48 3.54 -45.84 0 3 -1 60 201.249 1

Activity (Go SEA)

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