UCSF

ZINC69568081

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 24 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) 1.58 5.38 -25.04 2 7 0 105 346.412 3
Hi High (pH 8-9.5) 2.04 4.66 -60.89 1 7 -1 108 345.404 3

Activity (Go SEA)

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

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