UCSF

ZINC09493909

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2007 29 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) 3.85 5.17 -11.57 1 6 0 84 468.906 5
Hi High (pH 8-9.5) 3.85 5.26 -40.74 0 6 -1 86 467.898 5

Activity (Go SEA)

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