UCSF

ZINC66322549

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2011 20 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) 2.89 9.4 -13.53 0 5 0 47 287.754 2
Lo Low (pH 4.5-6) 2.89 9.53 -32.07 1 5 1 48 288.762 2

Activity (Go SEA)

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

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