UCSF

ZINC51763374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 20 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) -0.36 3.34 -42.93 2 6 1 57 285.412 6
Hi High (pH 8-9.5) -0.36 0.96 -12.9 1 6 0 56 284.404 6
Mid Mid (pH 6-8) -0.36 5.54 -100.77 3 6 2 58 286.42 6

Activity (Go SEA)

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