UCSF

ZINC67724887

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 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) -1.13 4.02 -72.84 3 10 1 120 334.408 6
Hi High (pH 8-9.5) -1.13 2.95 -21.37 2 10 0 115 333.4 6

Activity (Go SEA)

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

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