UCSF

ZINC59943917

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 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) 1.25 0.51 -32.94 3 3 1 40 201.334 3
Hi High (pH 8-9.5) 1.25 -0.73 -2.95 2 3 0 35 200.326 3

Activity (Go SEA)

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