UCSF

ZINC34946645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 0.69 8.5 -10.56 2 9 0 101 448.527 6
Lo Low (pH 4.5-6) 0.69 10.77 -48.49 3 9 1 103 449.535 6

Activity (Go SEA)

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