UCSF

ZINC68892835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 14 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) -1.79 -0.12 -53.34 3 8 -1 127 200.13 4
Hi High (pH 8-9.5) -1.72 -1.79 -112.35 2 8 -2 133 199.122 4

Activity (Go SEA)

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

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