UCSF

ZINC20929689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 15 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) 3.91 6.85 -40.78 2 2 1 26 338.063 5
Hi High (pH 8-9.5) 3.91 5.34 -1.67 1 2 0 21 337.055 5

Activity (Go SEA)

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