UCSF

ZINC09560754

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 30 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) 2.19 -1.48 -20.46 1 10 0 133 451.482 7
Hi High (pH 8-9.5) 2.19 -0.9 -57.66 0 10 -1 135 450.474 7

Activity (Go SEA)

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

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