UCSF

ZINC37792734

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) -0.99 4.58 -105.63 1 6 -2 109 229.232 6
Lo Low (pH 4.5-6) -0.99 2.77 -47.07 2 6 -1 107 230.24 6

Activity (Go SEA)

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