UCSF

ZINC26687428

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 33 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) 2.76 6.58 -17.54 1 9 0 102 488.591 8
Lo Low (pH 4.5-6) 2.76 6.92 -45.51 2 9 1 104 489.599 8
Lo Low (pH 4.5-6) 3.69 6.77 -18.35 1 9 0 106 488.591 7

Activity (Go SEA)

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