UCSF

ZINC49234527

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 19 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) 1.93 0.61 -9.09 4 5 0 92 282.365 5
Hi High (pH 8-9.5) 1.93 1.37 -42.33 3 5 -1 95 281.357 5

Activity (Go SEA)

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

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