UCSF

ZINC37820639

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.77 3.87 -40.54 2 5 1 49 284.424 5
Hi High (pH 8-9.5) 0.77 2.67 -8.69 1 5 0 45 283.416 5
Mid Mid (pH 6-8) 0.77 5.87 -89.59 3 5 2 51 285.432 5

Activity (Go SEA)

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