UCSF

ZINC55085466

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 20 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) 0.38 2.59 -9.13 3 7 0 87 278.36 4
Mid Mid (pH 6-8) 0.38 4.3 -36.85 4 7 1 89 279.368 4

Activity (Go SEA)

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

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