UCSF

ZINC38791856

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 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) 8.08 16.58 -46.62 1 3 -1 60 469.73 10
Lo Low (pH 4.5-6) 8.08 14.61 -7.65 2 3 0 58 470.738 10

Activity (Go SEA)

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