UCSF

ZINC20545826

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 3.73 8.3 -40.65 2 3 1 29 278.445 6
Hi High (pH 8-9.5) 3.73 6.25 -6.83 1 3 0 28 277.437 6

Activity (Go SEA)

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