UCSF

ZINC41584756

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 No

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) 3.46 11.24 -62.23 2 7 1 86 471.533 4
Hi High (pH 8-9.5) 3.46 9.68 -46.89 0 7 -1 88 469.517 4
Mid Mid (pH 6-8) 3.46 11.82 -37.05 1 7 0 89 470.525 4
Mid Mid (pH 6-8) 3.46 9.1 -23.06 1 7 0 85 470.525 4

Activity (Go SEA)

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