UCSF

ZINC48730804

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 18 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) 0.74 0.87 -8.64 1 6 0 54 259.35 6
Mid Mid (pH 6-8) 0.74 3.15 -41.96 2 6 1 55 260.358 6

Activity (Go SEA)

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