UCSF

ZINC52458155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.91 8.72 -56.99 2 6 1 61 351.858 8
Hi High (pH 8-9.5) 2.91 6.46 -16.21 1 6 0 59 350.85 8

Activity (Go SEA)

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