UCSF

ZINC41674769

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 0.58 2.69 -97.54 5 5 2 67 260.426 10
Hi High (pH 8-9.5) 0.58 0.81 -37.94 4 5 1 63 259.418 10
Hi High (pH 8-9.5) 0.58 1.6 -39.58 4 5 1 63 259.418 10
Hi High (pH 8-9.5) 0.58 0.21 -38.95 4 5 1 66 259.418 10

Activity (Go SEA)

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