UCSF

ZINC05764042

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 23 No

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) 4.60 5.51 -7.89 2 3 0 53 339.7 2
Hi High (pH 8-9.5) 4.60 6.28 -37.22 1 3 -1 56 338.692 2

Activity (Go SEA)

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