UCSF

ZINC17319869

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 25 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) 1.96 1.88 -17.31 1 7 0 99 450.332 6
Hi High (pH 8-9.5) 1.96 1.97 -45.54 0 7 -1 101 449.324 6

Activity (Go SEA)

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