UCSF

ZINC13147290

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 21 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) 0.16 2.59 -51.45 1 6 -1 84 293.343 4
Lo Low (pH 4.5-6) 0.16 4.85 -65.84 2 6 0 85 294.351 4
Lo Low (pH 4.5-6) 0.16 2.69 -41.02 3 6 1 82 295.359 4
Lo Low (pH 4.5-6) 0.16 0.41 -8.87 2 6 0 81 294.351 4

Activity (Go SEA)

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