UCSF

ZINC19660170

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 27 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) 3.34 8.71 -11.54 0 5 0 42 386.879 5
Lo Low (pH 4.5-6) 3.34 11.07 -48.93 1 5 1 43 387.887 5

Activity (Go SEA)

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