UCSF

ZINC36096644

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) -0.32 0.6 -10.35 1 5 0 54 249.314 4
Lo Low (pH 4.5-6) -0.32 3.51 -109.48 3 5 2 57 251.33 4
Lo Low (pH 4.5-6) -0.32 3.01 -44.2 2 5 1 56 250.322 4
Lo Low (pH 4.5-6) -0.32 1.07 -41.71 2 5 1 56 250.322 4

Activity (Go SEA)

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