UCSF

ZINC39298020

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 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) 4.28 10.98 -36.82 1 2 1 14 270.396 6
Hi High (pH 8-9.5) 4.28 8.49 -4.15 0 2 0 12 269.388 6

Activity (Go SEA)

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