UCSF

ZINC41733343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) -0.32 5.22 -40.02 3 3 1 42 223.34 5
Hi High (pH 8-9.5) -0.32 4.91 -4.92 2 3 0 40 222.332 5

Activity (Go SEA)

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