UCSF

ZINC25357490

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 24 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) 1.81 7.05 -53.09 2 5 1 54 328.388 4
Hi High (pH 8-9.5) 1.81 5.83 -10.77 1 5 0 49 327.38 4

Activity (Go SEA)

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