UCSF

ZINC62661219

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 18 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) 1.46 9.06 -68.25 0 4 -1 62 262.672 2
Lo Low (pH 4.5-6) -0.98 7.25 -37.05 1 4 0 64 263.68 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.