UCSF

ZINC43894064

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.50 7.74 -117.34 3 3 2 34 235.375 5
Hi High (pH 8-9.5) 1.50 5.25 -2.34 1 3 0 28 233.359 5
Hi High (pH 8-9.5) 1.50 5.98 -36.84 2 3 1 33 234.367 5
Mid Mid (pH 6-8) 1.50 7.56 -34.72 2 3 1 29 234.367 5

Activity (Go SEA)

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