UCSF

ZINC34863879

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 5.66 11.23 -11.75 1 7 0 80 483.634 11
Lo Low (pH 4.5-6) 1.99 12.17 -38.35 2 7 1 80 484.642 12

Activity (Go SEA)

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