UCSF

ZINC34979744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 0.85 2.47 -50.1 4 6 1 103 230.631 3
Hi High (pH 8-9.5) 0.85 2.07 -7.92 3 6 0 101 229.623 3

Activity (Go SEA)

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