UCSF

ZINC35807786

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 Yes

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) 3.92 9.29 -13.55 1 6 0 64 485.625 12
Lo Low (pH 4.5-6) 3.92 11.32 -57.45 2 6 1 65 486.633 12

Activity (Go SEA)

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