UCSF

ZINC19486751

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 No

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) 2.33 6.4 -14.75 2 3 0 42 223.345 5
Lo Low (pH 4.5-6) 2.33 6.8 -45.36 3 3 1 43 224.353 5

Activity (Go SEA)

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