UCSF

ZINC36652606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 29 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) 5.44 7.97 -17.77 1 6 0 77 411.527 9
Hi High (pH 8-9.5) 5.51 5.85 -56.33 0 6 -1 84 410.519 9

Activity (Go SEA)

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