UCSF

ZINC19516565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 14 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) 2.09 4.21 -13.96 3 3 0 51 209.318 5
Lo Low (pH 4.5-6) 2.09 4.56 -44.46 4 3 1 52 210.326 5

Activity (Go SEA)

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