UCSF

ZINC39327906

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 28 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) 2.96 5.48 -12.85 3 6 0 90 390.468 5
Mid Mid (pH 6-8) 2.96 5.79 -36.74 4 6 1 91 391.476 5
Lo Low (pH 4.5-6) 2.96 6.25 -80.36 5 6 2 93 392.484 5

Activity (Go SEA)

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