UCSF

ZINC19582814

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 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) 1.56 6.91 -72.71 1 6 0 78 346.408 6
Hi High (pH 8-9.5) 1.56 4.39 -57.88 0 6 -1 77 345.4 6
Lo Low (pH 4.5-6) 1.56 6.09 -50.14 2 6 1 75 347.416 6

Activity (Go SEA)

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