UCSF

ZINC37339155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 3.27 7.98 -37.63 1 3 1 31 250.362 7
Hi High (pH 8-9.5) 3.27 6.26 -9.34 0 3 0 30 249.354 7

Activity (Go SEA)

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