UCSF

ZINC22156632

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 0.63 1.4 -48.9 5 6 1 89 297.766 3
Hi High (pH 8-9.5) 0.63 -0.91 -13.99 4 6 0 87 296.758 3

Activity (Go SEA)

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