UCSF

ZINC43531601

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 31 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) 6.06 6.8 -53.73 2 9 -1 139 453.585 13
Lo Low (pH 4.5-6) 6.43 8.77 -18.8 3 9 0 133 454.593 12

Activity (Go SEA)

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