UCSF

ZINC41588166

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.34 12.02 -9.68 0 5 0 52 469.581 5
Lo Low (pH 4.5-6) 6.34 14.91 -45.13 1 5 1 53 470.589 5

Activity (Go SEA)

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