UCSF

ZINC70197782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 20 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) -0.23 4.88 -55.56 1 7 -1 104 296.328 6
Lo Low (pH 4.5-6) -0.23 2.9 -16.92 2 7 0 101 297.336 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.