UCSF

ZINC67982599

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 21 No

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) 0.30 2.33 -20.21 1 6 0 85 310.375 5
Lo Low (pH 4.5-6) 0.30 2.71 -44.72 2 6 1 87 311.383 5

Activity (Go SEA)

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

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