UCSF

ZINC26443045

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 14 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) 2.26 8.13 -101.55 3 2 2 21 198.354 4
Hi High (pH 8-9.5) 2.26 7.78 -25.4 2 2 1 20 197.346 4
Hi High (pH 8-9.5) 2.26 7.91 -26.03 2 2 1 16 197.346 4

Activity (Go SEA)

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