UCSF

ZINC43708695

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -0.48 1.9 -60.91 4 7 1 93 294.331 5
Hi High (pH 8-9.5) -0.48 0.55 -18.73 3 7 0 89 293.323 5

Activity (Go SEA)

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