UCSF

ZINC43426928

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) 2.32 3.76 -6.54 1 4 0 46 282.771 2
Lo Low (pH 4.5-6) 2.32 4.21 -31.69 2 4 1 47 283.779 2

Activity (Go SEA)

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