UCSF

ZINC39229478

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 1.59 9.26 -13.42 0 5 0 49 336.439 3
Lo Low (pH 4.5-6) 1.59 9.69 -42.33 1 5 1 51 337.447 3
Lo Low (pH 4.5-6) 1.59 9.77 -35.71 1 5 1 51 337.447 3

Activity (Go SEA)

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