UCSF

ZINC16442779

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 19 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) 2.46 8.51 -39.92 1 4 1 39 278.401 2
Hi High (pH 8-9.5) 2.46 6.54 -8.84 0 4 0 38 277.393 2
Hi High (pH 8-9.5) 2.46 6.94 -31.49 1 4 1 39 278.401 2

Activity (Go SEA)

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