UCSF

ZINC69815059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 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) 2.81 6.78 -37.56 3 5 0 70 342.449 4
Mid Mid (pH 6-8) 3.54 6.41 -62.99 2 5 -1 67 341.441 4

Activity (Go SEA)

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

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