UCSF

ZINC34847620

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 30 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) 2.35 5.31 -61.72 1 7 -1 99 430.864 9
Lo Low (pH 4.5-6) 2.35 4.55 -16.28 2 7 0 96 431.872 9

Activity (Go SEA)

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