UCSF

ZINC24926552

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 26 Yes

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) 3.39 8.25 -20.39 1 6 0 69 378.404 6
Hi High (pH 8-9.5) 3.46 7.34 -46.58 0 6 -1 75 377.396 6

Activity (Go SEA)

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