UCSF

ZINC42206055

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 3.38 8.82 -32.39 1 2 1 14 299.232 4
Hi High (pH 8-9.5) 3.38 6.41 -3.47 0 2 0 12 298.224 4

Activity (Go SEA)

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