UCSF

ZINC37022801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 3.63 8.33 -8.32 2 3 0 43 289.791 3
Lo Low (pH 4.5-6) 3.63 8.78 -30.71 3 3 1 45 290.799 3

Activity (Go SEA)

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