UCSF

ZINC71506347

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 14 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) 1.31 1.31 -42.43 3 3 1 46 194.254 2
Hi High (pH 8-9.5) 1.31 -0.1 -4.39 2 3 0 41 193.246 2

Activity (Go SEA)

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

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