UCSF

ZINC33723412

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 5.35 14.77 -68.93 1 6 0 74 478.633 12
Lo Low (pH 4.5-6) 5.35 13.48 -48.41 2 6 1 71 479.641 12

Activity (Go SEA)

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