UCSF

ZINC62779921

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2011 13 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) -0.42 -0.76 -41.98 3 6 1 84 180.191 3
Hi High (pH 8-9.5) -0.42 -2.19 -8.97 2 6 0 80 179.183 3

Activity (Go SEA)

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

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