UCSF

ZINC41074086

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 21 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) 1.56 6.14 -54.7 1 6 -1 95 321.359 5
Hi High (pH 8-9.5) 2.01 4.04 -110.96 0 6 -2 98 320.351 5

Activity (Go SEA)

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

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