UCSF

ZINC25465859

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 No

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) 2.68 6.14 -26.11 3 8 0 113 484.584 6
Hi High (pH 8-9.5) 3.14 4.99 -57.36 2 8 -1 116 483.576 6

Activity (Go SEA)

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