UCSF

ZINC04421936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 23 No

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) 3.47 9.61 -15.04 1 4 0 45 349.887 6
Lo Low (pH 4.5-6) 3.47 9.95 -34.76 2 4 1 46 350.895 6

Activity (Go SEA)

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