UCSF

ZINC49545660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 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) -0.30 2.19 -44.15 2 5 1 47 211.289 4
Hi High (pH 8-9.5) -0.30 0.88 -5.75 1 5 0 42 210.281 4

Activity (Go SEA)

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

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