UCSF

ZINC37239939

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) -0.84 1.57 -61.91 1 4 1 56 204.271 1
Mid Mid (pH 6-8) -0.84 -0.85 -14.26 0 4 0 54 203.263 1

Activity (Go SEA)

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

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