UCSF

ZINC04382601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 28 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) 5.02 11.37 -10.61 1 5 0 48 393.874 6
Mid Mid (pH 6-8) 5.02 11.87 -26.34 2 5 1 49 394.882 6

Activity (Go SEA)

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