UCSF

ZINC27326107

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 25 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) 2.42 8.48 -48.77 2 5 1 60 352.849 3
Hi High (pH 8-9.5) 2.42 7.08 -10.71 1 5 0 55 351.841 3
Mid Mid (pH 6-8) 2.42 9.27 -92.24 3 5 2 61 353.857 3

Activity (Go SEA)

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