UCSF

ZINC26514040

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) 2.06 4.76 -35.33 3 3 1 46 213.345 5
Hi High (pH 8-9.5) 2.06 3.68 -8.71 2 3 0 41 212.337 5

Activity (Go SEA)

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