UCSF

ZINC47630274

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2010 24 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) 2.35 8.41 -11.41 0 5 0 52 324.38 6
Lo Low (pH 4.5-6) 2.35 8.87 -40.93 1 5 1 53 325.388 6

Activity (Go SEA)

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