UCSF

ZINC49627854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 21 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) 2.54 9.42 -55.22 0 5 -1 67 303.363 7
Mid Mid (pH 6-8) 2.54 9.9 -68.74 1 5 0 68 304.371 7

Activity (Go SEA)

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

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