UCSF

ZINC20915309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 1.40 8 -44.45 1 6 1 46 362.542 5
Lo Low (pH 4.5-6) 1.40 8.17 -41.83 1 6 1 46 362.542 5

Activity (Go SEA)

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