UCSF

ZINC43698521

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 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) 3.25 9.41 -41.77 2 2 1 25 300.447 5
Hi High (pH 8-9.5) 3.25 7.07 -6.1 1 2 0 23 299.439 5

Activity (Go SEA)

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