UCSF

ZINC39743964

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 31 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) 5.33 11.9 -13.38 2 6 0 80 430.533 8
Hi High (pH 8-9.5) 5.33 11.71 -45.94 1 6 -1 78 429.525 8

Activity (Go SEA)

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