UCSF

ZINC22706201

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 31 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) 5.01 13.48 -19.42 2 5 0 67 470.019 4
Mid Mid (pH 6-8) 5.47 13.06 -49.49 1 5 -1 70 469.011 4

Activity (Go SEA)

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

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