UCSF

ZINC40332671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 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) 0.44 1.84 -12.34 2 6 0 76 283.353 4
Lo Low (pH 4.5-6) 0.44 4 -44 3 6 1 77 284.361 4
Lo Low (pH 4.5-6) 0.44 1.75 -41.9 3 6 1 77 284.361 4

Activity (Go SEA)

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

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