UCSF

ZINC79494068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2012 28 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) 2.02 3.88 -21.1 1 9 0 123 426.52 5
Ref Reference (pH 7) 1.09 4.71 -28.64 1 9 0 120 426.52 6

Activity (Go SEA)

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

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