UCSF

ZINC60705406

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 24 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) 3.28 6.47 -13 2 7 0 104 330.34 6
Mid Mid (pH 6-8) 3.28 7.45 -49.46 1 7 -1 107 329.332 6

Activity (Go SEA)

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