UCSF

ZINC35233667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 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) -0.92 -1.36 -11.41 1 7 0 83 268.317 5
Lo Low (pH 4.5-6) -0.92 0.94 -45.16 2 7 1 84 269.325 5

Activity (Go SEA)

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