UCSF

ZINC35289323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 25 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) -0.39 4.18 -17.8 2 7 0 93 339.351 5
Lo Low (pH 4.5-6) -0.39 4.65 -41.67 3 7 1 95 340.359 5

Activity (Go SEA)

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