UCSF

ZINC05685936

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 24 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) 4.04 6.93 -12.05 2 5 0 74 321.38 3
Ref Reference (pH 7) 4.04 6.78 -18.05 2 5 0 74 321.38 3
Hi High (pH 8-9.5) 4.50 4.87 -57.84 1 5 -1 77 320.372 3
Hi High (pH 8-9.5) 4.50 5.19 -47.21 1 5 -1 77 320.372 3

Activity (Go SEA)

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