UCSF

ZINC19398851

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 17 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) 1.45 5.29 -13.32 0 4 0 36 273.789 4
Lo Low (pH 4.5-6) 1.45 5.66 -39.56 1 4 1 38 274.797 4

Activity (Go SEA)

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