UCSF

ZINC43975919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.40 5.29 -99.45 3 4 2 40 248.411 11
Hi High (pH 8-9.5) 1.40 3.68 -27.79 2 4 1 35 247.403 11
Hi High (pH 8-9.5) 1.40 2.67 -37.93 2 4 1 38 247.403 11

Activity (Go SEA)

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