UCSF

ZINC24926355

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 23 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) 1.46 4.77 -36.45 2 6 0 84 340.355 6
Hi High (pH 8-9.5) 1.65 3.69 -55.45 1 6 -1 90 339.347 6

Activity (Go SEA)

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