UCSF

ZINC05562352

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 20 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) 1.61 5.31 -10.34 2 5 0 79 285.328 2
Hi High (pH 8-9.5) 2.07 4.21 -41.53 1 5 -1 82 284.32 2

Activity (Go SEA)

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

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