UCSF

ZINC00706666

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 5.45 11.65 -50.25 0 5 -1 67 470.357 4
Lo Low (pH 4.5-6) 4.99 13.54 -12.64 1 5 0 64 471.365 4

Activity (Go SEA)

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