UCSF

ZINC04494678

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2005 27 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) 1.05 -2.7 -13.76 3 9 0 124 372.381 6
Lo Low (pH 4.5-6) 1.05 0.33 -60.71 4 9 1 126 373.389 6

Activity (Go SEA)

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