UCSF

ZINC39229080

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) 0.32 8.86 -16.07 0 6 0 73 335.411 5
Lo Low (pH 4.5-6) 0.32 9.3 -54.48 1 6 1 74 336.419 5

Activity (Go SEA)

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