UCSF

ZINC65495125

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.00 2.22 -18.44 2 6 0 79 279.271 4
Hi High (pH 8-9.5) 0.19 -0.44 -50.15 1 6 -1 85 278.263 4

Activity (Go SEA)

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

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