UCSF

ZINC25444365

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 2.73 4.78 -20.63 2 7 0 101 447.38 7
Hi High (pH 8-9.5) 2.92 3.76 -41.09 1 7 -1 107 446.372 7

Activity (Go SEA)

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