UCSF

ZINC47464408

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.56 5.95 -43.52 1 5 -1 77 363.846 5
Mid Mid (pH 6-8) 3.56 5.92 -12.01 2 5 0 75 364.854 5

Activity (Go SEA)

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