UCSF

ZINC37843368

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) 1.66 0.89 -18.38 2 6 0 92 340.854 7
Hi High (pH 8-9.5) 1.66 1.08 -47.48 1 6 -1 94 339.846 7

Activity (Go SEA)

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