UCSF

ZINC37818179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -1.42 -0.79 -45.55 3 7 1 78 273.357 7
Hi High (pH 8-9.5) -1.42 -2.16 -13.95 2 7 0 74 272.349 7

Activity (Go SEA)

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