UCSF

ZINC27639169

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) 2.09 6.43 -55.23 2 5 -1 98 349.447 12
Lo Low (pH 4.5-6) 2.09 5.31 -18.79 3 5 0 95 350.455 12

Activity (Go SEA)

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

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