UCSF

ZINC39391920

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 15 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) -0.06 3.12 -58.23 3 5 1 71 212.273 6
Hi High (pH 8-9.5) 0.40 0.38 -75.49 2 5 0 75 211.265 6

Activity (Go SEA)

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