UCSF

ZINC36209051

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 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) 3.94 9.37 -16.42 1 8 0 102 424.482 4
Lo Low (pH 4.5-6) 3.94 10.33 -44 2 8 1 104 425.49 4

Activity (Go SEA)

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