UCSF

ZINC04579587

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 20 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) -0.77 -0.3 -24.11 3 8 0 108 300.34 6
Hi High (pH 8-9.5) 0.49 -2.38 -49.37 2 8 -1 113 299.332 6
Hi High (pH 8-9.5) -0.77 -0.7 -44 2 8 -1 110 299.332 6

Activity (Go SEA)

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