UCSF

ZINC48404671

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 16 No

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) -0.38 -0.1 -13.25 2 6 0 79 225.248 1
Hi High (pH 8-9.5) -0.19 -2.75 -44.93 1 6 -1 85 224.24 1

Activity (Go SEA)

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