UCSF

ZINC25455315

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 33 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) 1.56 8.04 -37.72 1 10 0 133 487.563 7
Hi High (pH 8-9.5) 1.74 6.97 -69.49 0 10 -1 139 486.555 7

Activity (Go SEA)

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