UCSF

ZINC37803351

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) -0.48 2.57 -38.47 3 5 1 70 262.333 4
Lo Low (pH 4.5-6) -0.48 2.25 -82.76 4 5 2 71 263.341 4

Activity (Go SEA)

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