UCSF

ZINC33498607

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 34 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) 4.48 13.52 -54.07 1 6 0 74 468.569 12
Lo Low (pH 4.5-6) 4.48 12.39 -52.54 2 6 1 71 469.577 12

Activity (Go SEA)

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