UCSF

ZINC66123757

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 29 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) 3.94 8.63 -55.57 1 5 -1 74 425.555 7
Lo Low (pH 4.5-6) 3.48 10.76 -17.04 2 5 0 71 426.563 7

Activity (Go SEA)

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

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