UCSF

ZINC67935160

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 28 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) 0.08 1.89 -26.04 3 9 0 118 382.424 5
Lo Low (pH 4.5-6) 0.08 2.33 -66.46 4 9 1 119 383.432 5

Activity (Go SEA)

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

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