UCSF

ZINC19855516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 29 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) 4.74 11.83 -16.38 1 5 0 68 394.515 4
Lo Low (pH 4.5-6) 4.74 11.78 -40.84 2 5 1 70 395.523 4

Activity (Go SEA)

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