UCSF

ZINC20826573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 3.13 7.04 -3.91 1 3 0 28 297.446 8
Lo Low (pH 4.5-6) 3.13 9.41 -84.6 3 3 2 31 299.462 8
Lo Low (pH 4.5-6) 3.13 8.12 -42.56 2 3 1 33 298.454 8
Lo Low (pH 4.5-6) 3.13 9.54 -125.91 3 3 2 34 299.462 8

Activity (Go SEA)

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