UCSF

ZINC21334297

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2008 22 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) 3.25 7.36 -12.91 1 4 0 63 331.78 3
Hi High (pH 8-9.5) 3.71 6.28 -46.57 0 4 -1 66 330.772 3
Hi High (pH 8-9.5) 3.71 6.77 -50.55 0 4 -1 66 330.772 3

Activity (Go SEA)

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