UCSF

ZINC37230905

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 0.61 5.75 -45.54 2 6 1 55 294.423 4
Lo Low (pH 4.5-6) 0.61 5.91 -81.15 3 6 2 56 295.431 4

Activity (Go SEA)

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