UCSF

ZINC01893319

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 34 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) 5.76 0.58 -63.89 1 5 -1 82 447.514 4
Lo Low (pH 4.5-6) 5.76 0.67 -70.29 2 5 0 83 448.522 4

Activity (Go SEA)

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

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