UCSF

ZINC41585687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 38 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) 4.60 10.96 -56.73 2 8 1 86 517.602 7
Hi High (pH 8-9.5) 4.60 9.29 -45.2 0 8 -1 87 515.586 7
Mid Mid (pH 6-8) 4.60 11.52 -37.64 1 8 0 89 516.594 7
Mid Mid (pH 6-8) 4.60 8.69 -13.83 1 8 0 85 516.594 7

Activity (Go SEA)

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