UCSF

ZINC12467826

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 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) 3.45 11.67 -64.46 0 7 -1 86 470.549 8
Lo Low (pH 4.5-6) 3.45 10.72 -15.26 1 7 0 83 471.557 8

Activity (Go SEA)

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