UCSF

ZINC25917659

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 19 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) 2.29 6.38 -39.92 2 4 1 43 330.246 7
Mid Mid (pH 6-8) 2.29 4.03 -8.44 1 4 0 42 329.238 7

Activity (Go SEA)

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