UCSF

ZINC33727415

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 37 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) 5.42 13.47 -38.68 0 9 -1 128 514.539 7
Lo Low (pH 4.5-6) 5.42 12.34 -24.17 1 9 0 126 515.547 7

Activity (Go SEA)

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