UCSF

ZINC37043078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) -1.40 0.39 -49.08 4 5 1 75 209.273 2
Hi High (pH 8-9.5) -1.40 -0.03 -13.89 3 5 0 73 208.265 2

Activity (Go SEA)

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