UCSF

ZINC12489279

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 3.50 8.37 -58.43 0 7 -1 82 481.544 9
Mid Mid (pH 6-8) 3.50 10.63 -72.16 1 7 0 83 482.552 9

Activity (Go SEA)

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