UCSF

ZINC51761868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 16 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) -0.43 2.49 -38.79 1 5 1 37 230.332 5
Hi High (pH 8-9.5) -0.43 0.11 -8.59 0 5 0 36 229.324 5
Mid Mid (pH 6-8) -0.43 4.78 -92.04 2 5 2 38 231.34 5

Activity (Go SEA)

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