UCSF

ZINC14533785

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 33 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) 2.86 7.38 -14.28 2 9 0 104 466.416 10
Lo Low (pH 4.5-6) 2.86 7.64 -41.71 3 9 1 105 467.424 10

Activity (Go SEA)

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