UCSF

ZINC06549061

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2006 26 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) -3.33 6.03 -34.27 4 8 1 120 347.358 3
Lo Low (pH 4.5-6) -3.33 6.47 -87.28 5 8 2 122 348.366 3

Activity (Go SEA)

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