UCSF

ZINC65534867

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 21 Yes

Other Names:

MFCD00587249

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) -0.75 -1.84 -107.22 6 7 2 91 297.403 5
Mid Mid (pH 6-8) -0.75 -4.11 -50.6 5 7 1 90 296.395 5
Lo Low (pH 4.5-6) -0.75 -0.4 -191.49 7 7 3 96 298.411 5

Activity (Go SEA)

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

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