UCSF

ZINC49442817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 1.58 5.37 -44.32 3 5 1 75 273.36 3
Hi High (pH 8-9.5) 1.33 4.07 -35.05 2 5 0 78 272.352 3

Activity (Go SEA)

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