UCSF

ZINC20131526

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 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) 3.20 5.89 -40.83 3 3 1 46 248.346 6
Hi High (pH 8-9.5) 3.20 6.35 -27.27 2 3 0 49 247.338 6

Activity (Go SEA)

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