UCSF

ZINC05372516

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 23 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) 5.08 6.35 -9.06 2 4 0 65 324.405 3
Hi High (pH 8-9.5) 5.53 4.99 -48.3 1 4 -1 69 323.397 3
Hi High (pH 8-9.5) 5.53 4.31 -49.06 1 4 -1 69 323.397 3

Activity (Go SEA)

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