UCSF

ZINC28108927

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 28 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) 1.97 6.92 -97.03 5 6 2 73 387.524 1
Lo Low (pH 4.5-6) 1.97 5.45 -37.72 4 6 1 68 386.516 1
Lo Low (pH 4.5-6) 1.97 6.89 -120.2 5 6 2 73 387.524 1

Activity (Go SEA)

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