UCSF

ZINC43391424

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 14 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) 2.48 5.1 -6.09 0 2 0 27 212.655 2
Lo Low (pH 4.5-6) 2.48 7.25 -49.16 1 2 1 28 213.663 2

Activity (Go SEA)

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