UCSF

ZINC39765908

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.54 11.96 -53.29 3 6 1 80 513.083 7
Hi High (pH 8-9.5) 5.54 12.02 -83.12 2 6 0 82 512.075 7

Activity (Go SEA)

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