UCSF

ZINC20101841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 35 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) 6.07 9.45 -10.55 2 6 0 81 471.601 7
Lo Low (pH 4.5-6) 6.07 9.79 -53.88 3 6 1 82 472.609 7

Activity (Go SEA)

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