UCSF

ZINC38837826

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 36 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) 6.54 12.43 -9.82 0 6 0 55 522.07 8
Mid Mid (pH 6-8) 6.54 14.69 -43.42 1 6 1 56 523.078 8

Activity (Go SEA)

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