UCSF

ZINC34681052

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 3.86 11.73 -17.27 1 6 0 66 470.907 4
Lo Low (pH 4.5-6) 3.86 12.05 -50.53 2 6 1 67 471.915 4

Activity (Go SEA)

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