UCSF

ZINC59901726

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 15 No

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) 2.94 6.26 -26.75 1 2 1 17 212.357 2
Hi High (pH 8-9.5) 2.94 3.92 -2.69 0 2 0 16 211.349 2

Activity (Go SEA)

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