UCSF

ZINC69055092

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 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) 0.52 5.07 -57.82 1 6 -1 91 279.297 5
Hi High (pH 8-9.5) 0.70 3.49 -125.94 0 6 -2 97 278.289 5

Activity (Go SEA)

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

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