UCSF

ZINC49628918

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 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) 4.17 9.42 -47.25 0 3 -1 53 268.336 2
Lo Low (pH 4.5-6) 4.17 9.86 -41.63 1 3 0 54 269.344 2

Activity (Go SEA)

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

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