UCSF

ZINC25156044

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 35 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) 3.62 9.55 -22.73 1 7 0 69 470.573 9
Lo Low (pH 4.5-6) 3.62 9.95 -39.27 2 7 1 70 471.581 9
Lo Low (pH 4.5-6) 3.62 12.34 -93.33 3 7 2 71 472.589 9

Activity (Go SEA)

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