UCSF

ZINC69078516

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 23 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) 2.62 7.25 -43.98 2 5 1 61 321.489 6
Hi High (pH 8-9.5) 2.62 7.01 -39.68 2 5 1 61 321.489 6

Activity (Go SEA)

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

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