UCSF

ZINC04381833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 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) 6.42 12.93 -13.69 1 4 0 39 405.929 6
Mid Mid (pH 6-8) 6.42 13.37 -27.32 2 4 1 40 406.937 6

Activity (Go SEA)

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