UCSF

ZINC43411127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.60 1.51 -41.19 4 6 1 100 297.404 5
Hi High (pH 8-9.5) 0.60 -0.71 -11.14 3 6 0 99 296.396 5

Activity (Go SEA)

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