UCSF

ZINC25478332

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 2.63 9.16 -53.56 1 6 1 76 339.35 5
Mid Mid (pH 6-8) 2.63 6.53 -12.64 0 6 0 75 338.342 5

Activity (Go SEA)

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