UCSF

ZINC52245038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 2.86 8.66 -35.73 1 3 1 31 226.34 6
Mid Mid (pH 6-8) 2.86 7.4 -4.67 0 3 0 30 225.332 6

Activity (Go SEA)

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