UCSF

ZINC20264397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.71 6.95 -81.95 1 8 0 96 400.431 8
Hi High (pH 8-9.5) 1.71 4.44 -65.72 0 8 -1 95 399.423 8
Lo Low (pH 4.5-6) 1.71 5.99 -51.93 2 8 1 94 401.439 8

Activity (Go SEA)

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