UCSF

ZINC37979687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 0.07 1.69 -46.08 4 6 1 90 297.766 4
Hi High (pH 8-9.5) 0.07 -0.5 -12.22 3 6 0 88 296.758 4

Activity (Go SEA)

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