UCSF

ZINC54417964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) -0.35 2.14 -12.42 1 7 0 76 263.301 2
Lo Low (pH 4.5-6) -0.35 4.4 -55.45 2 7 1 77 264.309 2

Activity (Go SEA)

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

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