UCSF

ZINC01560954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 11 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) 0.07 -3.82 -101.2 0 6 -2 89 150.097 0
Lo Low (pH 4.5-6) 0.07 -4.63 -41.33 1 6 -1 86 151.105 0

Activity (Go SEA)

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

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