UCSF

ZINC59514572

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.17 17.96 -12.09 1 7 0 73 385.541 4
Lo Low (pH 4.5-6) 5.00 17.94 -24.5 2 7 1 71 386.549 5

Activity (Go SEA)

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

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