UCSF

ZINC35023117

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.01 8.75 -84.58 3 9 0 126 481.549 11
Lo Low (pH 4.5-6) 2.01 7.87 -60.73 4 9 1 124 482.557 11

Activity (Go SEA)

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