UCSF

ZINC37873824

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 1.33 1.78 -69.44 3 4 1 71 324.344 5
Hi High (pH 8-9.5) 1.33 0.57 -15.47 2 4 0 66 323.336 5

Activity (Go SEA)

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