UCSF

ZINC65577364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 18 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) 0.15 -0.78 -19.35 1 6 0 84 296.414 3
Hi High (pH 8-9.5) 0.15 -0.99 -40.9 0 6 -1 86 295.406 3

Activity (Go SEA)

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

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