UCSF

ZINC69661746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 15 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) 0.88 6.9 -45.92 0 4 -1 60 210.253 4
Lo Low (pH 4.5-6) 0.88 4.96 -11.71 1 4 0 58 211.261 4

Activity (Go SEA)

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

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