UCSF

ZINC41585391

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) 5.07 12.27 -45.67 2 6 1 67 475.54 5
Mid Mid (pH 6-8) 5.07 10.61 -48.17 0 6 -1 69 473.524 5
Mid Mid (pH 6-8) 5.07 12.83 -32.32 1 6 0 70 474.532 5
Mid Mid (pH 6-8) 5.07 10.03 -10.44 1 6 0 66 474.532 5

Activity (Go SEA)

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