UCSF

ZINC33268795

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2009 23 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) 2.99 8.66 -35.36 1 4 1 39 332.424 5
Hi High (pH 8-9.5) 2.99 8.99 -11.76 0 4 0 38 331.416 5

Activity (Go SEA)

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