UCSF

ZINC43426443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.42 5.83 -5.46 0 3 0 30 299.823 3
Lo Low (pH 4.5-6) 3.42 7.94 -37.73 1 3 1 31 300.831 3

Activity (Go SEA)

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