UCSF

ZINC34540706

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.38 6.97 -3.56 0 4 0 25 340.552 12
Mid Mid (pH 6-8) 4.38 8.98 -35.37 1 4 1 26 341.56 12
Mid Mid (pH 6-8) 4.38 9.23 -35.74 1 4 1 26 341.56 12
Mid Mid (pH 6-8) 4.38 11.24 -76.03 2 4 2 27 342.568 12

Activity (Go SEA)

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