UCSF

ZINC50028052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 22 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) -2.69 0.01 -85.78 8 7 1 145 310.374 9
Hi High (pH 8-9.5) -2.69 -0.61 -50.44 6 7 -1 142 308.358 9
Mid Mid (pH 6-8) -2.69 -0.32 -46.54 7 7 0 143 309.366 9

Activity (Go SEA)

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