UCSF

ZINC59815844

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 26 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) -0.83 -2.63 -52.15 7 8 1 138 366.438 8
Hi High (pH 8-9.5) -0.83 -3.09 -12.09 6 8 0 136 365.43 8

Activity (Go SEA)

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

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