UCSF

ZINC20181694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 20 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) 0.77 1.07 -55.47 3 5 1 68 298.432 4
Lo Low (pH 4.5-6) 0.77 3.33 -135.32 4 5 2 69 299.44 4

Activity (Go SEA)

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