UCSF

ZINC21143631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 34 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) 3.27 8.39 -22.84 2 8 0 90 456.55 6
Mid Mid (pH 6-8) 3.27 8.58 -53.35 3 8 1 92 457.558 6
Lo Low (pH 4.5-6) 3.27 8.79 -92.79 4 8 2 93 458.566 6

Activity (Go SEA)

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