UCSF

ZINC35100881

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) -0.02 -1.85 -9.86 3 6 0 95 233.227 3
Mid Mid (pH 6-8) 0.44 -3.63 -47.76 2 6 -1 98 232.219 3

Activity (Go SEA)

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