UCSF

ZINC21022537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 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) 0.99 0.09 -47.36 5 6 1 97 300.404 5
Hi High (pH 8-9.5) 0.99 0.54 -61.09 4 6 0 100 299.396 5
Hi High (pH 8-9.5) 0.99 -1.83 -44.93 3 6 -1 98 298.388 5
Hi High (pH 8-9.5) 0.99 -2.28 -13.71 4 6 0 96 299.396 5

Activity (Go SEA)

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