UCSF

ZINC33525010

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 33 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) 5.16 13.67 -41.7 0 5 -1 70 440.519 8
Lo Low (pH 4.5-6) 5.16 12.54 -15.77 1 5 0 67 441.527 8

Activity (Go SEA)

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