UCSF

ZINC43447856

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 2.35 4.68 -5.18 0 4 0 39 229.32 7
Lo Low (pH 4.5-6) 2.35 6.71 -33.77 1 4 1 40 230.328 7

Activity (Go SEA)

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