UCSF

ZINC37804598

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 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) -0.44 3.47 -89.23 4 4 2 52 215.341 3
Hi High (pH 8-9.5) -0.44 3.07 -38.38 3 4 1 51 214.333 3

Activity (Go SEA)

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