UCSF

ZINC33115990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 35 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) 3.38 8.63 -16.98 1 7 0 88 468.557 6
Lo Low (pH 4.5-6) 3.38 9.07 -50.72 2 7 1 90 469.565 6

Activity (Go SEA)

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