UCSF

ZINC34354883

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 31 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) 1.31 2.08 -16.54 4 11 0 142 447.883 5
Lo Low (pH 4.5-6) 1.31 2.46 -40.32 5 11 1 143 448.891 5

Activity (Go SEA)

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