UCSF

ZINC43248062

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.36 6.21 -95.56 4 3 2 35 297.512 5
Hi High (pH 8-9.5) 2.36 5.46 -32.42 3 3 1 34 296.504 5

Activity (Go SEA)

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