UCSF

ZINC43641135

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 41 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) 3.77 10.98 -55.66 2 10 -1 131 550.643 8
Lo Low (pH 4.5-6) 3.77 11.07 -24.35 3 10 0 133 551.651 8

Activity (Go SEA)

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