UCSF

ZINC56871285

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 35 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) 4.52 10.85 -47.14 1 5 -1 94 483.669 1
Lo Low (pH 4.5-6) 4.52 8.87 -10.56 2 5 0 92 484.677 1

Activity (Go SEA)

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