UCSF

ZINC59084777

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 20 No

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) -4.28 4.68 -181.91 2 9 -3 162 305.288 9
Lo Low (pH 4.5-6) -4.28 2.7 -110.75 3 9 -2 159 306.296 9

Activity (Go SEA)

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