UCSF

ZINC43164432

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2010 19 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) 2.79 8.53 -32.39 1 2 1 8 277.457 3
Hi High (pH 8-9.5) 2.79 6.39 -3.33 0 2 0 6 276.449 3

Activity (Go SEA)

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