UCSF

ZINC69700229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 23 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) 3.94 10.16 -8.81 1 4 0 45 331.847 5
Lo Low (pH 4.5-6) 3.94 10.61 -41.36 2 4 1 46 332.855 5

Activity (Go SEA)

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