UCSF

ZINC15744167

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 28 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) 3.57 5.28 -13.38 2 6 0 88 468.279 5
Hi High (pH 8-9.5) 3.57 5.35 -39.49 1 6 -1 90 467.271 5

Activity (Go SEA)

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