UCSF

ZINC37337732

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 No

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) 1.60 5.02 -14.92 0 6 0 75 264.281 4
Lo Low (pH 4.5-6) 1.60 7.13 -52.17 1 6 1 77 265.289 4

Activity (Go SEA)

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