UCSF

ZINC64976507

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 23 Yes

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) 3.08 3.5 -12.77 3 6 0 95 331.397 4
Hi High (pH 8-9.5) 3.05 3.87 -45.03 2 6 1 94 330.389 4
Hi High (pH 8-9.5) 3.08 3.48 -44.08 2 6 -1 97 330.389 4

Activity (Go SEA)

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

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