UCSF

ZINC12532710

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 21 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) 0.55 4.44 -16.32 2 5 0 71 283.331 5
Lo Low (pH 4.5-6) 0.55 4.71 -48.77 3 5 1 72 284.339 5

Activity (Go SEA)

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