UCSF

ZINC63009016

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 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) 0.54 2.74 -47.46 2 7 -1 111 278.219 3
Hi High (pH 8-9.5) 0.72 1.11 -95.68 1 7 -2 117 277.211 3

Activity (Go SEA)

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

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