UCSF

ZINC41543213

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 32 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) 2.32 9.67 -68.01 1 7 0 83 434.492 6
Lo Low (pH 4.5-6) 2.32 8.92 -47.59 2 7 1 81 435.5 6

Activity (Go SEA)

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