UCSF

ZINC26321628

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 26 Yes

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) 2.74 10.12 -60.37 2 6 1 84 352.414 8
Mid Mid (pH 6-8) 2.74 7.79 -14.44 1 6 0 82 351.406 8

Activity (Go SEA)

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