UCSF

ZINC43894256

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 18 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) 2.25 7.81 -112.82 3 3 2 34 249.402 4
Hi High (pH 8-9.5) 2.25 6.02 -37.17 2 3 1 33 248.394 4
Hi High (pH 8-9.5) 2.25 7.24 -27.91 2 3 1 29 248.394 4
Lo Low (pH 4.5-6) 2.25 6.33 -93.38 3 3 2 34 249.402 4

Activity (Go SEA)

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