UCSF

ZINC39548055

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 25 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) 4.42 10.85 -12.34 1 3 0 42 332.447 7
Lo Low (pH 4.5-6) 4.42 11.22 -36.58 2 3 1 43 333.455 7

Activity (Go SEA)

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