UCSF

ZINC41513309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 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) 2.94 7.03 -38.99 2 4 1 55 288.367 2
Mid Mid (pH 6-8) 2.94 7.79 -28.17 1 4 0 58 287.359 2

Activity (Go SEA)

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