UCSF

ZINC34946249

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 25 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) 1.07 6.29 -80.23 4 6 2 71 355.523 9
Hi High (pH 8-9.5) 1.07 5.89 -38.26 3 6 1 69 354.515 9
Lo Low (pH 4.5-6) 1.07 8.13 -82.82 4 6 2 70 355.523 9
Lo Low (pH 4.5-6) 1.07 8.54 -162.24 5 6 3 72 356.531 9

Activity (Go SEA)

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