UCSF

ZINC37084976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 29 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) 3.55 11.16 -50.05 2 6 1 55 398.527 8
Mid Mid (pH 6-8) 3.55 8.94 -9.71 1 6 0 54 397.519 8

Activity (Go SEA)

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