UCSF

ZINC20129451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 3.81 8.91 -37.14 2 2 1 16 295.859 6
Lo Low (pH 4.5-6) 3.81 10.17 -125.54 3 2 2 21 296.867 6

Activity (Go SEA)

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