UCSF

ZINC71621375

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 18 Yes

Other Names:

MFCD21602934

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) -0.35 3.59 -53.62 2 5 1 55 251.306 1
Mid Mid (pH 6-8) -0.35 2.22 -10.77 1 5 0 51 250.298 1

Activity (Go SEA)

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

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