UCSF

ZINC20272491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.28 5.87 -42.87 2 3 1 29 348.692 6
Lo Low (pH 4.5-6) 3.28 6.84 -38.83 2 3 1 26 348.692 6

Activity (Go SEA)

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