UCSF

ZINC43424844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.16 3.31 -47.08 3 3 1 40 259.439 5
Lo Low (pH 4.5-6) 1.16 4.77 -129.4 4 3 2 41 260.447 5

Activity (Go SEA)

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